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]+ 387.206706 196.1
[M+Na]+ 409.188648 199.2
[M-H]- 385.192154 203.1
[M+NH4]+ 404.233253 202.5
[M+K]+ 425.162588 191.9
[M+H-H2O]+ 369.196690 183.3
[M+HCOO]- 431.197631 210.0
[M+CH3COO]- 445.213281 202.9
[M+Na-2H]- 407.174096 196.3
[M]+ 386.19888142 190.7
[M]- 386.19997858 190.7
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.