CID 9794418

6-bromo-3-hydroxypyrazine-2-carboxamide

Structural Information

Molecular Formula

C₅H₄BrN₃O₂

SMILES

C1=C(N=C(C(=O)N1)C(=O)N)Br

InChI

InChI=1S/C5H4BrN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)

InChIKey

KZBREXQQUFIWKD-UHFFFAOYSA-N

Compound name

5-bromo-2-oxo-1H-pyrazine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 93
Patents: 216.94868 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.955956	131.0
[M+Na]+	239.937898	143.6
[M-H]-	215.941404	133.7
[M+NH4]+	234.982503	149.4
[M+K]+	255.911838	131.9
[M+H-H2O]+	199.945940	129.9
[M+HCOO]-	261.946881	150.5
[M+CH3COO]-	275.962531	182.5
[M+Na-2H]-	237.923346	138.6
[M]+	216.94813142	147.1
[M]-	216.94922858	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe