CID 91008

1-(3-(p-chlorophenyl)-3-phenylpropyl)-4-(p-tolyl)piperazine maleate

Structural Information

Molecular Formula
C26H29ClN2
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H29ClN2/c1-21-7-13-25(14-8-21)29-19-17-28(18-20-29)16-15-26(22-5-3-2-4-6-22)23-9-11-24(27)12-10-23/h2-14,26H,15-20H2,1H3
InChIKey
PJZDYMISSQKXMK-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenyl)-3-phenylpropyl]-4-(4-methylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.20193 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20921 203.8
[M+Na]+ 427.19115 221.6
[M+NH4]+ 422.23575 213.1
[M+K]+ 443.16509 209.5
[M-H]- 403.19465 212.9
[M+Na-2H]- 425.17660 215.7
[M]+ 404.20138 209.6
[M]- 404.20248 209.6
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.