CID 52181168

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

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

18
Patents

169.00429 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.01157 128.3
[M+Na]+ 191.99351 141.5
[M-H]- 167.99701 127.2
[M+NH4]+ 187.03811 147.5
[M+K]+ 207.96745 135.5
[M+H-H2O]+ 152.00155 122.1
[M+HCOO]- 214.00249 144.7
[M+CH3COO]- 228.01814 142.0
[M+Na-2H]- 189.97896 136.6
[M]+ 169.00374 129.3
[M]- 169.00484 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe