CID 59276991

5-chloro-n-methylpyrazine-2-carboxamide

Structural Information

Molecular Formula

C₆H₆ClN₃O

SMILES

CNC(=O)C1=CN=C(C=N1)Cl

InChI

InChI=1S/C6H6ClN3O/c1-8-6(11)4-2-10-5(7)3-9-4/h2-3H,1H3,(H,8,11)

InChIKey

GTMQCCYEWVSVPW-UHFFFAOYSA-N

Compound name

5-chloro-N-methylpyrazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 171.01994 Da
Monoisotopic Mass: -0.1
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]+	172.02722	131.2
[M+Na]+	194.00916	144.4
[M+NH4]+	189.05376	139.0
[M+K]+	209.98310	138.5
[M-H]-	170.01266	132.3
[M+Na-2H]-	191.99461	138.5
[M]+	171.01939	133.5
[M]-	171.02049	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe