CID 181118

3-methyl-3h-imidazo[4,5-b]pyridin-2-amine dihydrochloride

Structural Information

Molecular Formula
C7H8N4
SMILES
CN1C2=C(C=CC=N2)N=C1N
InChI
InChI=1S/C7H8N4/c1-11-6-5(10-7(11)8)3-2-4-9-6/h2-4H,1H3,(H2,8,10)
InChIKey
VSXIONDMVNNUMA-UHFFFAOYSA-N
Compound name
3-methylimidazo[4,5-b]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

148.07489 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 127.5
[M+Na]+ 171.064108 139.4
[M-H]- 147.067614 128.8
[M+NH4]+ 166.108713 147.8
[M+K]+ 187.038048 136.2
[M+H-H2O]+ 131.072150 120.0
[M+HCOO]- 193.073091 151.4
[M+CH3COO]- 207.088741 142.0
[M+Na-2H]- 169.049556 136.3
[M]+ 148.07434142 128.4
[M]- 148.07543858 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe