CID 20443037

2002uglycpd30

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

5
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 215.9
[M+Na]+ 489.23242 217.0
[M-H]- 465.23592 219.4
[M+NH4]+ 484.27702 218.7
[M+K]+ 505.20636 209.3
[M+H-H2O]+ 449.24046 200.5
[M+HCOO]- 511.24140 225.2
[M+CH3COO]- 525.25705 219.9
[M+Na-2H]- 487.21787 212.1
[M]+ 466.24265 209.5
[M]- 466.24375 209.5
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.