CID 213313

26108-53-2

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

16
Patents

294.17322 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.180496 171.7
[M+Na]+ 317.162438 175.0
[M-H]- 293.165944 176.9
[M+NH4]+ 312.207043 182.9
[M+K]+ 333.136378 169.8
[M+H-H2O]+ 277.170480 160.5
[M+HCOO]- 339.171421 187.9
[M+CH3COO]- 353.187071 180.5
[M+Na-2H]- 315.147886 174.6
[M]+ 294.17267142 166.7
[M]- 294.17376858 166.7
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