CID 20346358

40852-06-0

Structural Information

Molecular Formula

C₇H₆ClN₃O

SMILES

CN1C2=C(NC1=O)N=C(C=C2)Cl

InChI

InChI=1S/C7H6ClN3O/c1-11-4-2-3-5(8)9-6(4)10-7(11)12/h2-3H,1H3,(H,9,10,12)

InChIKey

CRMDODRROWFDQK-UHFFFAOYSA-N

Compound name

5-chloro-1-methyl-3H-imidazo[4,5-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 183.01994 Da
Monoisotopic Mass: 1.0
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]+	184.02722	132.4
[M+Na]+	206.00916	147.9
[M+NH4]+	201.05376	140.5
[M+K]+	221.98310	143.0
[M-H]-	182.01266	132.6
[M+Na-2H]-	203.99461	138.9
[M]+	183.01939	134.9
[M]-	183.02049	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe