CID 32827

25174-65-6

Structural Information

Molecular Formula
C26H27ClN2O
SMILES
C1CN(CCN1CC2=CC=CC=C2)C(=O)CC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H27ClN2O/c27-24-13-11-23(12-14-24)25(22-9-5-2-6-10-22)19-26(30)29-17-15-28(16-18-29)20-21-7-3-1-4-8-21/h1-14,25H,15-20H2
InChIKey
ORMJQSPHTHSBLF-UHFFFAOYSA-N
Compound name
1-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.18118 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.18846 204.7
[M+Na]+ 441.17040 221.3
[M+NH4]+ 436.21500 213.0
[M+K]+ 457.14434 210.4
[M-H]- 417.17390 212.8
[M+Na-2H]- 439.15585 216.0
[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.