CID 20587804

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

Structural Information

Molecular Formula
C6H4ClN3O
SMILES
C1=CC(=NC2=C1NC(=O)N2)Cl
InChI
InChI=1S/C6H4ClN3O/c7-4-2-1-3-5(9-4)10-6(11)8-3/h1-2H,(H2,8,9,10,11)
InChIKey
XJFIKRXIJXAJGH-UHFFFAOYSA-N
Compound name
5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16035
Patents

169.00429 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe