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 180.0
[M+Na]+ 347.18422 183.5
[M-H]- 323.18772 184.2
[M+NH4]+ 342.22882 188.7
[M+K]+ 363.15816 177.9
[M+H-H2O]+ 307.19226 167.9
[M+HCOO]- 369.19320 195.9
[M+CH3COO]- 383.20885 187.9
[M+Na-2H]- 345.16967 182.9
[M]+ 324.19445 175.3
[M]- 324.19555 175.3
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.