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: 20
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	132.7
[M+Na]+	206.00916	146.7
[M-H]-	182.01266	133.1
[M+NH4]+	201.05376	152.3
[M+K]+	221.98310	141.3
[M+H-H2O]+	166.01720	126.2
[M+HCOO]-	228.01814	150.1
[M+CH3COO]-	242.03379	146.9
[M+Na-2H]-	203.99461	140.1
[M]+	183.01939	136.1
[M]-	183.02049	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe