CID 213313

Propiophenone, 3-(4-phenyl-1-piperazinyl)-

Structural Information

Molecular Formula
C19H22N2O
SMILES
C1CN(CCN1CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2O/c22-19(17-7-3-1-4-8-17)11-12-20-13-15-21(16-14-20)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKey
XLHRSIAQCNHEIG-UHFFFAOYSA-N
Compound name
1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

294.17322 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 172.9
[M+Na]+ 317.16244 187.2
[M+NH4]+ 312.20704 181.1
[M+K]+ 333.13638 178.2
[M-H]- 293.16594 178.5
[M+Na-2H]- 315.14789 182.7
[M]+ 294.17267 176.5
[M]- 294.17377 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe