CID 915511

7-bromo-1-methyl-1h-imidazo[4,5-c]pyridin-4(5h)-one

Structural Information

Molecular Formula
C7H6BrN3O
SMILES
CN1C=NC2=C1C(=CNC2=O)Br
InChI
InChI=1S/C7H6BrN3O/c1-11-3-10-5-6(11)4(8)2-9-7(5)12/h2-3H,1H3,(H,9,12)
InChIKey
RXERNKSTSSWUPU-UHFFFAOYSA-N
Compound name
7-bromo-1-methyl-5H-imidazo[4,5-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

226.96942 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.976696 135.3
[M+Na]+ 249.958638 151.5
[M-H]- 225.962144 139.0
[M+NH4]+ 245.003243 156.2
[M+K]+ 265.932578 139.6
[M+H-H2O]+ 209.966680 135.2
[M+HCOO]- 271.967621 155.5
[M+CH3COO]- 285.983271 151.4
[M+Na-2H]- 247.944086 144.5
[M]+ 226.96887142 155.7
[M]- 226.96996858 155.7
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