CID 32137

23904-72-5

Structural Information

Molecular Formula
C26H27ClN2O
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H27ClN2O/c1-20-7-13-24(14-8-20)28-15-17-29(18-16-28)26(30)19-25(21-5-3-2-4-6-21)22-9-11-23(27)12-10-22/h2-14,25H,15-19H2,1H3
InChIKey
RQVFYYPNDANMBP-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-[4-(4-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 203.4
[M+Na]+ 441.17040 207.1
[M-H]- 417.17390 211.2
[M+NH4]+ 436.21500 210.2
[M+K]+ 457.14434 198.9
[M+H-H2O]+ 401.17844 190.6
[M+HCOO]- 463.17938 212.6
[M+CH3COO]- 477.19503 210.0
[M+Na-2H]- 439.15585 201.8
[M]+ 418.18063 200.5
[M]- 418.18173 200.5
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.