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]+ 325.202276 180.0
[M+Na]+ 347.184218 183.5
[M-H]- 323.187724 184.2
[M+NH4]+ 342.228823 188.7
[M+K]+ 363.158158 177.9
[M+H-H2O]+ 307.192260 167.9
[M+HCOO]- 369.193201 195.9
[M+CH3COO]- 383.208851 187.9
[M+Na-2H]- 345.169666 182.9
[M]+ 324.19445142 175.3
[M]- 324.19554858 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.