CID 118294130

116035-72-4

Structural Information

Molecular Formula
C7H6BrN3O
SMILES
CC1=C2C(=NC=C1Br)NC(=O)N2
InChI
InChI=1S/C7H6BrN3O/c1-3-4(8)2-9-6-5(3)10-7(12)11-6/h2H,1H3,(H2,9,10,11,12)
InChIKey
DHIZZMFOQOXHSS-UHFFFAOYSA-N
Compound name
6-bromo-7-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

226.96942 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.976696 136.4
[M+Na]+ 249.958638 152.1
[M-H]- 225.962144 138.7
[M+NH4]+ 245.003243 156.6
[M+K]+ 265.932578 139.2
[M+H-H2O]+ 209.966680 136.4
[M+HCOO]- 271.967621 155.1
[M+CH3COO]- 285.983271 151.7
[M+Na-2H]- 247.944086 145.0
[M]+ 226.96887142 155.0
[M]- 226.96996858 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

No literature data available for this compound.

Patent stripe

patents stripe