CID 91081

1-benzyl-4-(3-(p-chlorophenyl)-3-phenylpropyl)piperazine dimaleate

Structural Information

Molecular Formula
C26H29ClN2
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4
InChI
InChI=1S/C26H29ClN2/c27-25-13-11-24(12-14-25)26(23-9-5-2-6-10-23)15-16-28-17-19-29(20-18-28)21-22-7-3-1-4-8-22/h1-14,26H,15-21H2
InChIKey
XABDJFDXVGTGAL-UHFFFAOYSA-N
Compound name
1-benzyl-4-[3-(4-chlorophenyl)-3-phenylpropyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.20193 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20921 201.2
[M+Na]+ 427.19115 204.0
[M-H]- 403.19465 208.2
[M+NH4]+ 422.23575 208.3
[M+K]+ 443.16509 195.1
[M+H-H2O]+ 387.19919 187.9
[M+HCOO]- 449.20013 210.9
[M+CH3COO]- 463.21578 207.6
[M+Na-2H]- 425.17660 201.2
[M]+ 404.20138 197.7
[M]- 404.20248 197.7
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.