CID 206358

49747-55-9

Structural Information

Molecular Formula
C25H26N2O
SMILES
C1CN(CCN1C2=CC=CC=C2)C(CC(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H26N2O/c28-25(22-12-6-2-7-13-22)20-24(21-10-4-1-5-11-21)27-18-16-26(17-19-27)23-14-8-3-9-15-23/h1-15,24H,16-20H2
InChIKey
BATDJYIYGYYDHD-UHFFFAOYSA-N
Compound name
1,3-diphenyl-3-(4-phenylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.2045 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.21178 191.9
[M+Na]+ 393.19372 193.2
[M-H]- 369.19722 199.3
[M+NH4]+ 388.23832 198.9
[M+K]+ 409.16766 186.5
[M+H-H2O]+ 353.20176 178.7
[M+HCOO]- 415.20270 205.9
[M+CH3COO]- 429.21835 198.6
[M+Na-2H]- 391.17917 192.8
[M]+ 370.20395 185.3
[M]- 370.20505 185.3
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.