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 196.1
[M+Na]+ 409.18865 199.2
[M-H]- 385.19215 203.1
[M+NH4]+ 404.23325 202.5
[M+K]+ 425.16259 191.9
[M+H-H2O]+ 369.19669 183.3
[M+HCOO]- 431.19763 210.0
[M+CH3COO]- 445.21328 202.9
[M+Na-2H]- 407.17410 196.3
[M]+ 386.19888 190.7
[M]- 386.19998 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.