CID 91087

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

Structural Information

Molecular Formula
C25H26Cl2N2
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4Cl
InChI
InChI=1S/C25H26Cl2N2/c26-22-12-10-21(11-13-22)23(20-6-2-1-3-7-20)14-15-28-16-18-29(19-17-28)25-9-5-4-8-24(25)27/h1-13,23H,14-19H2
InChIKey
ZKETZADTUWLGJJ-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-4-[3-(4-chlorophenyl)-3-phenylpropyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1473 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.15458 205.7
[M+Na]+ 447.13652 224.1
[M+NH4]+ 442.18112 215.1
[M+K]+ 463.11046 211.4
[M-H]- 423.14002 214.4
[M+Na-2H]- 445.12197 217.4
[M]+ 424.14675 211.8
[M]- 424.14785 211.8
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.