CID 23298303

6-bromo-3-ethyl-3h-imidazo[4,5-b]pyridine

Structural Information

Molecular Formula
C8H8BrN3
SMILES
CCN1C=NC2=C1N=CC(=C2)Br
InChI
InChI=1S/C8H8BrN3/c1-2-12-5-11-7-3-6(9)4-10-8(7)12/h3-5H,2H2,1H3
InChIKey
QHFMKLXEVDGSFU-UHFFFAOYSA-N
Compound name
6-bromo-3-ethylimidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

224.99016 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.99744 137.2
[M+Na]+ 247.97938 152.5
[M-H]- 223.98288 141.7
[M+NH4]+ 243.02398 158.8
[M+K]+ 263.95332 141.4
[M+H-H2O]+ 207.98742 136.6
[M+HCOO]- 269.98836 158.2
[M+CH3COO]- 284.00401 153.3
[M+Na-2H]- 245.96483 147.1
[M]+ 224.98961 158.7
[M]- 224.99071 158.7
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