CID 3076952

3h-imidazo(4,5-b)pyridine, 2-(1-methyl-3-piperidinyl)-3-(phenylmethyl)-

Structural Information

Molecular Formula
C19H22N4
SMILES
CN1CCC(CC1)C2=NC3=C(N2CC4=CC=CC=C4)N=CC=C3
InChI
InChI=1S/C19H22N4/c1-22-12-9-16(10-13-22)18-21-17-8-5-11-20-19(17)23(18)14-15-6-3-2-4-7-15/h2-8,11,16H,9-10,12-14H2,1H3
InChIKey
HDMRHBXRGMIRNK-UHFFFAOYSA-N
Compound name
3-benzyl-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

306.18445 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.19173 175.3
[M+Na]+ 329.17367 183.1
[M-H]- 305.17717 180.1
[M+NH4]+ 324.21827 186.9
[M+K]+ 345.14761 175.9
[M+H-H2O]+ 289.18171 163.1
[M+HCOO]- 351.18265 191.3
[M+CH3COO]- 365.19830 184.8
[M+Na-2H]- 327.15912 178.3
[M]+ 306.18390 173.1
[M]- 306.18500 173.1
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