CID 24839169

Brn 5045178

Structural Information

Molecular Formula
C12H8ClN3O
SMILES
C1=CC=C(C=C1)N2C3=C(C=CC(=N3)Cl)NC2=O
InChI
InChI=1S/C12H8ClN3O/c13-10-7-6-9-11(15-10)16(12(17)14-9)8-4-2-1-3-5-8/h1-7H,(H,14,17)
InChIKey
ZYIKCXPNJPQJPR-UHFFFAOYSA-N
Compound name
5-chloro-3-phenyl-1H-imidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.03558 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04286 149.8
[M+Na]+ 268.02480 167.4
[M+NH4]+ 263.06940 158.4
[M+K]+ 283.99874 160.8
[M-H]- 244.02830 152.8
[M+Na-2H]- 266.01025 159.2
[M]+ 245.03503 153.6
[M]- 245.03613 153.6
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

No patent data available for this compound.