CID 5413008

6-bromo-5-methyl-1h-imidazo[4,5-b]pyridin-2-ol

Structural Information

Molecular Formula
C7H6BrN3O
SMILES
CC1=C(C=C2C(=N1)NC(=O)N2)Br
InChI
InChI=1S/C7H6BrN3O/c1-3-4(8)2-5-6(9-3)11-7(12)10-5/h2H,1H3,(H2,9,10,11,12)
InChIKey
MVEUCAYEKFZDEG-UHFFFAOYSA-N
Compound name
6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

226.96942 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.97670 136.4
[M+Na]+ 249.95864 152.1
[M-H]- 225.96214 138.7
[M+NH4]+ 245.00324 156.6
[M+K]+ 265.93258 139.2
[M+H-H2O]+ 209.96668 136.4
[M+HCOO]- 271.96762 155.1
[M+CH3COO]- 285.98327 151.7
[M+Na-2H]- 247.94409 145.0
[M]+ 226.96887 155.0
[M]- 226.96997 155.0
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