CID 1924413

6-bromo-3h-imidazo[4,5-b]pyridin-2-ol

Structural Information

Molecular Formula
C6H4BrN3O
SMILES
C1=C(C=NC2=C1NC(=O)N2)Br
InChI
InChI=1S/C6H4BrN3O/c7-3-1-4-5(8-2-3)10-6(11)9-4/h1-2H,(H2,8,9,10,11)
InChIKey
VHCRLTJPUNUZRN-UHFFFAOYSA-N
Compound name
6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

176
Patents

212.95377 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.96105 131.7
[M+Na]+ 235.94299 146.9
[M-H]- 211.94649 133.8
[M+NH4]+ 230.98759 152.1
[M+K]+ 251.91693 134.4
[M+H-H2O]+ 195.95103 131.7
[M+HCOO]- 257.95197 150.7
[M+CH3COO]- 271.96762 147.1
[M+Na-2H]- 233.92844 141.6
[M]+ 212.95322 149.7
[M]- 212.95432 149.7
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