CID 3079472

Benzamide, 4-methyl-n-(3-(4-phenyl-1-piperazinyl)propyl)-, trihydrochloride

Structural Information

Molecular Formula
C21H27N3O
SMILES
CC1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C21H27N3O/c1-18-8-10-19(11-9-18)21(25)22-12-5-13-23-14-16-24(17-15-23)20-6-3-2-4-7-20/h2-4,6-11H,5,12-17H2,1H3,(H,22,25)
InChIKey
LHJYMZCTIQPKMW-UHFFFAOYSA-N
Compound name
4-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 185.5
[M+Na]+ 360.20464 198.4
[M+NH4]+ 355.24924 192.8
[M+K]+ 376.17858 189.7
[M-H]- 336.20814 191.3
[M+Na-2H]- 358.19009 194.2
[M]+ 337.21487 188.9
[M]- 337.21597 188.9
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.