CID 10504397

Chembl358521

Structural Information

Molecular Formula
C28H32F2N2O2
SMILES
C1CN(CCN1CCCC2=CC=C(C=C2)O)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C28H32F2N2O2/c29-25-9-5-23(6-10-25)28(24-7-11-26(30)12-8-24)34-21-20-32-18-16-31(17-19-32)15-1-2-22-3-13-27(33)14-4-22/h3-14,28,33H,1-2,15-21H2
InChIKey
KEPMHFZSPIKKQX-UHFFFAOYSA-N
Compound name
4-[3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

466.2432 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.25048 217.2
[M+Na]+ 489.23242 219.5
[M-H]- 465.23592 221.0
[M+NH4]+ 484.27702 220.4
[M+K]+ 505.20636 211.3
[M+H-H2O]+ 449.24046 201.7
[M+HCOO]- 511.24140 227.5
[M+CH3COO]- 525.25705 221.6
[M+Na-2H]- 487.21787 213.7
[M]+ 466.24265 211.8
[M]- 466.24375 211.8
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.