CID 20443037

Chembl27826

Structural Information

Molecular Formula
C28H32F2N2O2
SMILES
C1CN(CCN1CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC(CC4=CC=CC=C4)O
InChI
InChI=1S/C28H32F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
InChIKey
GJDQYWYMCFMZIM-UHFFFAOYSA-N
Compound name
1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-3-phenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

466.2432 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.25048 218.8
[M+Na]+ 489.23242 230.6
[M+NH4]+ 484.27702 223.7
[M+K]+ 505.20636 221.7
[M-H]- 465.23592 222.5
[M+Na-2H]- 487.21787 226.1
[M]+ 466.24265 221.3
[M]- 466.24375 221.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe