CID 91089

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

Structural Information

Molecular Formula
C26H29ClN2
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H29ClN2/c1-21-7-5-6-10-26(21)29-19-17-28(18-20-29)16-15-25(22-8-3-2-4-9-22)23-11-13-24(27)14-12-23/h2-14,25H,15-20H2,1H3
InChIKey
HVXWMAUDNHLONW-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenyl)-3-phenylpropyl]-4-(2-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 201.8
[M+Na]+ 427.19115 205.6
[M-H]- 403.19465 209.3
[M+NH4]+ 422.23575 209.3
[M+K]+ 443.16509 196.7
[M+H-H2O]+ 387.19919 188.7
[M+HCOO]- 449.20013 211.5
[M+CH3COO]- 463.21578 208.5
[M+Na-2H]- 425.17660 201.0
[M]+ 404.20138 198.7
[M]- 404.20248 198.7
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.