CID 54595385

{6-bromo-1h-imidazo[4,5-b]pyridin-2-yl}methanamine dihydrochloride

Structural Information

Molecular Formula
C7H7BrN4
SMILES
C1=C(C=NC2=C1NC(=N2)CN)Br
InChI
InChI=1S/C7H7BrN4/c8-4-1-5-7(10-3-4)12-6(2-9)11-5/h1,3H,2,9H2,(H,10,11,12)
InChIKey
QZHUZLIIWQQDAF-UHFFFAOYSA-N
Compound name
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

225.98541 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.99269 137.1
[M+Na]+ 248.97463 151.3
[M-H]- 224.97813 139.8
[M+NH4]+ 244.01923 157.2
[M+K]+ 264.94857 138.8
[M+H-H2O]+ 208.98267 136.0
[M+HCOO]- 270.98361 157.3
[M+CH3COO]- 284.99926 152.0
[M+Na-2H]- 246.96008 146.5
[M]+ 225.98486 154.9
[M]- 225.98596 154.9
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