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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-10 22:01:11 UTC

Update Date

2021-09-26 22:52:59 UTC

HMDB ID

HMDB0244894

Secondary Accession Numbers

None

Metabolite Identification

Common Name

1H-Indole-5-carboxamide

Description

1H-Indole-5-carboxamide, also known as SD282 CPD, belongs to the class of organic compounds known as indolecarboxamides and derivatives. Indolecarboxamides and derivatives are compounds containing a carboxamide group attached to an indole. Based on a literature review a small amount of articles have been published on 1H-Indole-5-carboxamide. This compound has been identified in human blood as reported by (PMID: 31557052 ). 1h-indole-5-carboxamide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 1H-Indole-5-carboxamide is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       3.864   2.073   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.530   1.303   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.197   2.073   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.197   3.613   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.268   4.089   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.173   2.843   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -0.268   1.597   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       2.530   4.383   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.864   3.613   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.198   4.383   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       5.198   5.923   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       6.531   3.613   0.000  0.00  0.00           N+0
CONECT    1    2    9                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    7                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    3                                                       
CONECT    8    4    9                                                       
CONECT    9    8    1   10                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   26    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
SD282 CPD	HMDB
Indole-5-carboxamide	HMDB

Chemical Formula

C₉H₈N₂O

Average Molecular Weight

160.176

Monoisotopic Molecular Weight

160.063662886

IUPAC Name

1H-indole-5-carboxamide

Traditional Name

indole-5-carboxamide

CAS Registry Number

Not Available

SMILES

NC(=O)C1=CC2=C(NC=C2)C=C1

InChI Identifier

InChI=1S/C9H8N2O/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,(H2,10,12)

InChI Key

GQMYQEAXTITUAE-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as indolecarboxamides and derivatives. Indolecarboxamides and derivatives are compounds containing a carboxamide group attached to an indole.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Indolecarboxylic acids and derivatives

Direct Parent

Indolecarboxamides and derivatives

Alternative Parents

Substituents

Indolecarboxamide derivative
Indole
Benzenoid
Pyrrole
Heteroaromatic compound
Carboxamide group
Primary carboxylic acid amide
Azacycle
Carboxylic acid derivative
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	1.1	ALOGPS
logP	0.92	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	14.53	ChemAxon
pKa (Strongest Basic)	-0.41	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	58.88 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	46.22 m³·mol⁻¹	ChemAxon
Polarizability	16.47 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	133.67	30932474
DeepCCS	[M-H]-	130.901	30932474
DeepCCS	[M-2H]-	166.936	30932474
DeepCCS	[M+Na]+	142.088	30932474
AllCCS	[M+H]+	133.7	32859911
AllCCS	[M+H-H2O]+	129.1	32859911
AllCCS	[M+NH4]+	138.0	32859911
AllCCS	[M+Na]+	139.2	32859911
AllCCS	[M-H]-	132.3	32859911
AllCCS	[M+Na-2H]-	132.9	32859911
AllCCS	[M+HCOO]-	133.6	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Predicted by Siyang on May 30, 2022	9.9527 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	2.68 minutes	32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	1110.0 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	343.1 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	101.6 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	207.1 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	218.9 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	258.8 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	287.0 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	113.7 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	687.8 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	267.0 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	881.1 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	297.1 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	255.0 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	511.0 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	192.6 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	139.8 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
1H-Indole-5-carboxamide	NC(=O)C1=CC2=C(NC=C2)C=C1	3252.5	Standard polar	33892256
1H-Indole-5-carboxamide	NC(=O)C1=CC2=C(NC=C2)C=C1	1890.3	Standard non polar	33892256
1H-Indole-5-carboxamide	NC(=O)C1=CC2=C(NC=C2)C=C1	2084.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
1H-Indole-5-carboxamide,1TMS,isomer #1	C[Si](C)(C)NC(=O)C1=CC=C2[NH]C=CC2=C1	2063.7	Semi standard non polar	33892256
1H-Indole-5-carboxamide,1TMS,isomer #1	C[Si](C)(C)NC(=O)C1=CC=C2[NH]C=CC2=C1	2055.7	Standard non polar	33892256
1H-Indole-5-carboxamide,1TMS,isomer #1	C[Si](C)(C)NC(=O)C1=CC=C2[NH]C=CC2=C1	2466.2	Standard polar	33892256
1H-Indole-5-carboxamide,1TMS,isomer #2	C[Si](C)(C)N1C=CC2=CC(C(N)=O)=CC=C21	2057.4	Semi standard non polar	33892256
1H-Indole-5-carboxamide,1TMS,isomer #2	C[Si](C)(C)N1C=CC2=CC(C(N)=O)=CC=C21	2043.3	Standard non polar	33892256
1H-Indole-5-carboxamide,1TMS,isomer #2	C[Si](C)(C)N1C=CC2=CC(C(N)=O)=CC=C21	2656.1	Standard polar	33892256
1H-Indole-5-carboxamide,2TMS,isomer #1	C[Si](C)(C)N(C(=O)C1=CC=C2[NH]C=CC2=C1)[Si](C)(C)C	2148.3	Semi standard non polar	33892256
1H-Indole-5-carboxamide,2TMS,isomer #1	C[Si](C)(C)N(C(=O)C1=CC=C2[NH]C=CC2=C1)[Si](C)(C)C	2138.0	Standard non polar	33892256
1H-Indole-5-carboxamide,2TMS,isomer #1	C[Si](C)(C)N(C(=O)C1=CC=C2[NH]C=CC2=C1)[Si](C)(C)C	2321.4	Standard polar	33892256
1H-Indole-5-carboxamide,2TMS,isomer #2	C[Si](C)(C)NC(=O)C1=CC=C2C(=C1)C=CN2[Si](C)(C)C	2173.0	Semi standard non polar	33892256
1H-Indole-5-carboxamide,2TMS,isomer #2	C[Si](C)(C)NC(=O)C1=CC=C2C(=C1)C=CN2[Si](C)(C)C	2167.9	Standard non polar	33892256
1H-Indole-5-carboxamide,2TMS,isomer #2	C[Si](C)(C)NC(=O)C1=CC=C2C(=C1)C=CN2[Si](C)(C)C	2246.0	Standard polar	33892256
1H-Indole-5-carboxamide,3TMS,isomer #1	C[Si](C)(C)N(C(=O)C1=CC=C2C(=C1)C=CN2[Si](C)(C)C)[Si](C)(C)C	2200.0	Semi standard non polar	33892256
1H-Indole-5-carboxamide,3TMS,isomer #1	C[Si](C)(C)N(C(=O)C1=CC=C2C(=C1)C=CN2[Si](C)(C)C)[Si](C)(C)C	2226.8	Standard non polar	33892256
1H-Indole-5-carboxamide,3TMS,isomer #1	C[Si](C)(C)N(C(=O)C1=CC=C2C(=C1)C=CN2[Si](C)(C)C)[Si](C)(C)C	2151.9	Standard polar	33892256
1H-Indole-5-carboxamide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C1=CC=C2[NH]C=CC2=C1	2305.5	Semi standard non polar	33892256
1H-Indole-5-carboxamide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C1=CC=C2[NH]C=CC2=C1	2244.3	Standard non polar	33892256
1H-Indole-5-carboxamide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C1=CC=C2[NH]C=CC2=C1	2551.4	Standard polar	33892256
1H-Indole-5-carboxamide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N1C=CC2=CC(C(N)=O)=CC=C21	2311.3	Semi standard non polar	33892256
1H-Indole-5-carboxamide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N1C=CC2=CC(C(N)=O)=CC=C21	2230.3	Standard non polar	33892256
1H-Indole-5-carboxamide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N1C=CC2=CC(C(N)=O)=CC=C21	2720.1	Standard polar	33892256
1H-Indole-5-carboxamide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C2[NH]C=CC2=C1)[Si](C)(C)C(C)(C)C	2612.1	Semi standard non polar	33892256
1H-Indole-5-carboxamide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C2[NH]C=CC2=C1)[Si](C)(C)C(C)(C)C	2558.9	Standard non polar	33892256
1H-Indole-5-carboxamide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C2[NH]C=CC2=C1)[Si](C)(C)C(C)(C)C	2452.4	Standard polar	33892256
1H-Indole-5-carboxamide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C1=CC=C2C(=C1)C=CN2[Si](C)(C)C(C)(C)C	2635.6	Semi standard non polar	33892256
1H-Indole-5-carboxamide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C1=CC=C2C(=C1)C=CN2[Si](C)(C)C(C)(C)C	2564.8	Standard non polar	33892256
1H-Indole-5-carboxamide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C1=CC=C2C(=C1)C=CN2[Si](C)(C)C(C)(C)C	2431.7	Standard polar	33892256
1H-Indole-5-carboxamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C2C(=C1)C=CN2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2867.1	Semi standard non polar	33892256
1H-Indole-5-carboxamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C2C(=C1)C=CN2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2849.1	Standard non polar	33892256
1H-Indole-5-carboxamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C2C(=C1)C=CN2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2457.5	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 1H-Indole-5-carboxamide GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-3900000000-e50c7786c07fc38e27d6	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1H-Indole-5-carboxamide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1H-Indole-5-carboxamide 10V, Positive-QTOF	splash10-03di-0900000000-c4d05d42fd66ab22f104	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1H-Indole-5-carboxamide 20V, Positive-QTOF	splash10-01ox-0900000000-50aa964c26cc19e01422	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1H-Indole-5-carboxamide 40V, Positive-QTOF	splash10-0006-6900000000-4393cdc83b3ecc37aa3a	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1H-Indole-5-carboxamide 10V, Negative-QTOF	splash10-0a4i-0900000000-c32cc25d577b439aa196	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1H-Indole-5-carboxamide 20V, Negative-QTOF	splash10-05mo-6900000000-29f65203aa155777514d	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1H-Indole-5-carboxamide 40V, Negative-QTOF	splash10-066u-5900000000-1dc63df6fe56df3eab21	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

10437451

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14973220

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for 1H-Indole-5-carboxamide (HMDB0244894)

MOL for HMDB0244894 (1H-Indole-5-carboxamide)

3D MOL for HMDB0244894 (1H-Indole-5-carboxamide)

3D SDF for HMDB0244894 (1H-Indole-5-carboxamide)

3D-SDF for HMDB0244894 (1H-Indole-5-carboxamide)

PDB for HMDB0244894 (1H-Indole-5-carboxamide)

3D PDB for HMDB0244894 (1H-Indole-5-carboxamide)

SMILES for HMDB0244894 (1H-Indole-5-carboxamide)

INCHI for HMDB0244894 (1H-Indole-5-carboxamide)

Structure for HMDB0244894 (1H-Indole-5-carboxamide)

3D Structure for HMDB0244894 (1H-Indole-5-carboxamide)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra