CID 32139

23904-87-2

Structural Information

Molecular Formula
C26H27ClN2O
SMILES
CC1=CC=CC=C1N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H27ClN2O/c1-20-7-5-6-10-25(20)28-15-17-29(18-16-28)26(30)19-24(21-8-3-2-4-9-21)22-11-13-23(27)14-12-22/h2-14,24H,15-19H2,1H3
InChIKey
KBNOGJIHESRQCG-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.18118 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.18846 204.6
[M+Na]+ 441.17040 221.6
[M+NH4]+ 436.21500 212.9
[M+K]+ 457.14434 210.8
[M-H]- 417.17390 212.8
[M+Na-2H]- 439.15585 215.8
[M]+ 418.18063 209.9
[M]- 418.18173 209.9
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.