CID 4454985

157637-84-8

Structural Information

Molecular Formula
C25H26N2O
SMILES
C1CN(CCN1CCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H26N2O/c28-25(23-13-11-22(12-14-23)21-7-3-1-4-8-21)15-16-26-17-19-27(20-18-26)24-9-5-2-6-10-24/h1-14H,15-20H2
InChIKey
VPRSFDNKFYYOGY-UHFFFAOYSA-N
Compound name
1-(4-phenylphenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.2045 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.21178 192.8
[M+Na]+ 393.19372 195.5
[M-H]- 369.19722 200.6
[M+NH4]+ 388.23832 200.3
[M+K]+ 409.16766 188.3
[M+H-H2O]+ 353.20176 179.6
[M+HCOO]- 415.20270 207.9
[M+CH3COO]- 429.21835 200.0
[M+Na-2H]- 391.17917 194.0
[M]+ 370.20395 187.3
[M]- 370.20505 187.3
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

patents stripe