CID 5425186

54221-73-7

Structural Information

Molecular Formula

C₆H₄ClN₃O

SMILES

C1=CN=C(C2=C1NC(=O)N2)Cl

InChI

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

InChIKey

KLECYJVFQWNFGY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
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]+	170.011566	128.3
[M+Na]+	191.993508	141.5
[M-H]-	167.997014	127.2
[M+NH4]+	187.038113	147.5
[M+K]+	207.967448	135.5
[M+H-H2O]+	152.001550	122.1
[M+HCOO]-	214.002491	144.7
[M+CH3COO]-	228.018141	142.0
[M+Na-2H]-	189.978956	136.6
[M]+	169.00374142	129.3
[M]-	169.00483858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe