CID 32828

Beta-(p-chlorophenyl)phenethyl 4-(o-chlorophenyl)piperazinyl ketone

Structural Information

Molecular Formula
C25H24Cl2N2O
SMILES
C1CN(CCN1C2=CC=CC=C2Cl)C(=O)CC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H24Cl2N2O/c26-21-12-10-20(11-13-21)22(19-6-2-1-3-7-19)18-25(30)29-16-14-28(15-17-29)24-9-5-4-8-23(24)27/h1-13,22H,14-18H2
InChIKey
QNMUVPCRPKARFA-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.12656 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.13384 203.6
[M+Na]+ 461.11578 208.1
[M-H]- 437.11928 210.7
[M+NH4]+ 456.16038 210.2
[M+K]+ 477.08972 199.4
[M+H-H2O]+ 421.12382 191.2
[M+HCOO]- 483.12476 208.2
[M+CH3COO]- 497.14041 209.9
[M+Na-2H]- 459.10123 201.8
[M]+ 438.12601 202.1
[M]- 438.12711 202.1
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.