CID 4099733

477328-81-7

Structural Information

Molecular Formula
C25H26N2O2
SMILES
C1CN(CCN1CCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)O
InChI
InChI=1S/C25H26N2O2/c28-24-12-10-23(11-13-24)27-18-16-26(17-19-27)15-14-25(29)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h1-13,28H,14-19H2
InChIKey
RBKLMELMUAALHV-UHFFFAOYSA-N
Compound name
3-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.19943 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20671 197.8
[M+Na]+ 409.18865 213.5
[M+NH4]+ 404.23325 205.2
[M+K]+ 425.16259 203.9
[M-H]- 385.19215 205.2
[M+Na-2H]- 407.17410 208.5
[M]+ 386.19888 202.3
[M]- 386.19998 202.3
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.