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]+ 338.222696 184.2
[M+Na]+ 360.204638 186.8
[M-H]- 336.208144 189.4
[M+NH4]+ 355.249243 193.7
[M+K]+ 376.178578 181.1
[M+H-H2O]+ 320.212680 172.6
[M+HCOO]- 382.213621 200.8
[M+CH3COO]- 396.229271 213.8
[M+Na-2H]- 358.190086 185.9
[M]+ 337.21487142 179.7
[M]- 337.21596858 179.7
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.