CID 52181168

1202780-76-4

Structural Information

Molecular Formula

C₆H₄ClN₃O

SMILES

C1=CN=C2C(=C1Cl)NC(=O)N2

InChI

InChI=1S/C6H4ClN3O/c7-3-1-2-8-5-4(3)9-6(11)10-5/h1-2H,(H2,8,9,10,11)

InChIKey

GNRJLARTHJVKGL-UHFFFAOYSA-N

Compound name

7-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 169.00429 Da
Monoisotopic Mass: 0.5
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]+	170.01157	128.2
[M+Na]+	191.99351	142.9
[M+NH4]+	187.03811	136.1
[M+K]+	207.96745	138.4
[M-H]-	167.99701	127.8
[M+Na-2H]-	189.97896	134.6
[M]+	169.00374	130.3
[M]-	169.00484	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe