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 203.0
[M+Na]+ 441.17040 205.8
[M-H]- 417.17390 210.4
[M+NH4]+ 436.21500 209.4
[M+K]+ 457.14434 197.5
[M+H-H2O]+ 401.17844 190.0
[M+HCOO]- 463.17938 212.2
[M+CH3COO]- 477.19503 209.3
[M+Na-2H]- 439.15585 202.1
[M]+ 418.18063 199.7
[M]- 418.18173 199.7
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.