CID 2812082

Ccg-52223

Structural Information

Molecular Formula

C₁₂H₈N₆O₃

SMILES

C1=CC(=C(N=C1)NNC(=O)C2=NC=CN=C2C(=O)O)C#N

InChI

InChI=1S/C12H8N6O3/c13-6-7-2-1-3-16-10(7)17-18-11(19)8-9(12(20)21)15-5-4-14-8/h1-5H,(H,16,17)(H,18,19)(H,20,21)

InChIKey

UBMWVSIMFDWORH-UHFFFAOYSA-N

Compound name

3-[[(3-cyano-2-pyridinyl)amino]carbamoyl]pyrazine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 284.0658 Da
Monoisotopic Mass: 0.7
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]+	285.073076	163.9
[M+Na]+	307.055018	171.4
[M-H]-	283.058524	163.7
[M+NH4]+	302.099623	171.7
[M+K]+	323.028958	168.0
[M+H-H2O]+	267.063060	146.9
[M+HCOO]-	329.064001	180.1
[M+CH3COO]-	343.079651	211.6
[M+Na-2H]-	305.040466	168.7
[M]+	284.06525142	156.8
[M]-	284.06634858	156.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.