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 202.5
[M+Na]+ 447.13652 207.1
[M-H]- 423.14002 209.1
[M+NH4]+ 442.18112 209.7
[M+K]+ 463.11046 197.6
[M+H-H2O]+ 407.14456 189.7
[M+HCOO]- 469.14550 207.5
[M+CH3COO]- 483.16115 208.9
[M+Na-2H]- 445.12197 201.5
[M]+ 424.14675 200.7
[M]- 424.14785 200.7
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.