CID 11971537

N-(2-methylphenyl)-4-(2-pyridinyl)-1-piperazinepropanamide dihydrochloride hydrate

Structural Information

Molecular Formula
C19H24N4O
SMILES
CC1=CC=CC=C1NC(=O)CCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C19H24N4O/c1-16-6-2-3-7-17(16)21-19(24)9-11-22-12-14-23(15-13-22)18-8-4-5-10-20-18/h2-8,10H,9,11-15H2,1H3,(H,21,24)
InChIKey
JVUAPNRAZHVOAU-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.195 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20228 180.4
[M+Na]+ 347.18422 193.5
[M+NH4]+ 342.22882 187.1
[M+K]+ 363.15816 185.5
[M-H]- 323.18772 185.4
[M+Na-2H]- 345.16967 189.1
[M]+ 324.19445 183.5
[M]- 324.19555 183.5
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

No patent data available for this compound.