CID 32135

23902-89-8

Structural Information

Molecular Formula
C27H29ClN2O
SMILES
C1CN(CCN1CCC2=CC=CC=C2)C(=O)CC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H29ClN2O/c28-25-13-11-24(12-14-25)26(23-9-5-2-6-10-23)21-27(31)30-19-17-29(18-20-30)16-15-22-7-3-1-4-8-22/h1-14,26H,15-21H2
InChIKey
PRMKKOJZFTYWJG-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-3-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.19684 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.20412 207.3
[M+Na]+ 455.18606 209.6
[M-H]- 431.18956 214.5
[M+NH4]+ 450.23066 213.2
[M+K]+ 471.16000 201.2
[M+H-H2O]+ 415.19410 194.1
[M+HCOO]- 477.19504 216.2
[M+CH3COO]- 491.21069 213.1
[M+Na-2H]- 453.17151 205.9
[M]+ 432.19629 204.3
[M]- 432.19739 204.3
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.