CID 66545130

4-{2-methyl-1h-imidazo[4,5-b]pyridin-1-yl}piperidine dihydrochloride

Structural Information

Molecular Formula
C12H16N4
SMILES
CC1=NC2=C(N1C3CCNCC3)C=CC=N2
InChI
InChI=1S/C12H16N4/c1-9-15-12-11(3-2-6-14-12)16(9)10-4-7-13-8-5-10/h2-3,6,10,13H,4-5,7-8H2,1H3
InChIKey
BBHWLVWMLAYILJ-UHFFFAOYSA-N
Compound name
2-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

216.1375 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14478 150.0
[M+Na]+ 239.12672 158.4
[M-H]- 215.13022 150.7
[M+NH4]+ 234.17132 165.1
[M+K]+ 255.10066 153.0
[M+H-H2O]+ 199.13476 140.2
[M+HCOO]- 261.13570 165.9
[M+CH3COO]- 275.15135 160.8
[M+Na-2H]- 237.11217 155.0
[M]+ 216.13695 146.1
[M]- 216.13805 146.1
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