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

13
Patents

225.98541 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.992686 137.1
[M+Na]+ 248.974628 151.3
[M-H]- 224.978134 139.8
[M+NH4]+ 244.019233 157.2
[M+K]+ 264.948568 138.8
[M+H-H2O]+ 208.982670 136.0
[M+HCOO]- 270.983611 157.3
[M+CH3COO]- 284.999261 152.0
[M+Na-2H]- 246.960076 146.5
[M]+ 225.98486142 154.9
[M]- 225.98595858 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