CID 131620887

Ethyl 7-bromo-3h-imidazo[4,5-b]pyridine-2-carboxylate

Structural Information

Molecular Formula
C9H8BrN3O2
SMILES
CCOC(=O)C1=NC2=NC=CC(=C2N1)Br
InChI
InChI=1S/C9H8BrN3O2/c1-2-15-9(14)8-12-6-5(10)3-4-11-7(6)13-8/h3-4H,2H2,1H3,(H,11,12,13)
InChIKey
XXXRNTIIAYACBH-UHFFFAOYSA-N
Compound name
ethyl 7-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.97998 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.98726 147.2
[M+Na]+ 291.96920 161.2
[M-H]- 267.97270 150.3
[M+NH4]+ 287.01380 166.0
[M+K]+ 307.94314 149.9
[M+H-H2O]+ 251.97724 146.4
[M+HCOO]- 313.97818 165.9
[M+CH3COO]- 327.99383 189.8
[M+Na-2H]- 289.95465 154.9
[M]+ 268.97943 168.5
[M]- 268.98053 168.5
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.