CID 3079470

Benzamide, 4-methyl-n-(3-(4-(phenylmethyl)-1-piperazinyl)propyl)-, dihydrochloride, hydrate

Structural Information

Molecular Formula
C22H29N3O
SMILES
CC1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H29N3O/c1-19-8-10-21(11-9-19)22(26)23-12-5-13-24-14-16-25(17-15-24)18-20-6-3-2-4-7-20/h2-4,6-11H,5,12-18H2,1H3,(H,23,26)
InChIKey
KQISCDCKXYUCNS-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.23105 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 190.0
[M+Na]+ 374.22027 202.7
[M+NH4]+ 369.26487 197.1
[M+K]+ 390.19421 193.7
[M-H]- 350.22377 195.7
[M+Na-2H]- 372.20572 198.4
[M]+ 351.23050 193.3
[M]- 351.23160 193.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.