Metabolite 5-hydroxypyrazinamide

Name

5-hydroxypyrazinamide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 139.1121
Monoisotopic: 139.038176419

Chemical Formula

C₅H₅N₃O₂

InChI Key

XENWQEOTDAQROM-UHFFFAOYSA-N

InChI

InChI=1S/C5H5N3O2/c6-5(10)3-1-8-4(9)2-7-3/h1-2H,(H2,6,10)(H,8,9)

IUPAC Name

5-oxo-4,5-dihydropyrazine-2-carboxamide

SMILES

NC(=O)C1=CNC(=O)C=N1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-059j-9600000000-eed6c6621ac175ebc06f
GC-MS Spectrum - EI-B	GC-MS	splash10-004v-9100000000-f3668d75358f611d3aea
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-1900000000-a45b34c8cfb4487cf72e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-9000000000-64256c6e9195fca98d79
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00xs-9500000000-44bfa3140ac58b2ffc84
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0005-9100000000-5c5213e193a77c25b5e0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00kg-9000000000-44e6c3c7c45d2157d5d7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-dedc7c7bdde7d2ec3160

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	126.3579882	predicted	DarkChem Lite v0.1.0
[M-H]-	126.3752882	predicted	DarkChem Lite v0.1.0
[M-H]-	122.8042	predicted	DeepCCS 1.0 (2019)
[M+H]+	127.3193882	predicted	DarkChem Lite v0.1.0
[M+H]+	127.4174882	predicted	DarkChem Lite v0.1.0
[M+H]+	126.63259	predicted	DeepCCS 1.0 (2019)
[M+Na]+	126.7037882	predicted	DarkChem Lite v0.1.0
[M+Na]+	126.9149882	predicted	DarkChem Lite v0.1.0
[M+Na]+	135.7293	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties