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]+ 467.250476 215.9
[M+Na]+ 489.232418 217.0
[M-H]- 465.235924 219.4
[M+NH4]+ 484.277023 218.7
[M+K]+ 505.206358 209.3
[M+H-H2O]+ 449.240460 200.5
[M+HCOO]- 511.241401 225.2
[M+CH3COO]- 525.257051 219.9
[M+Na-2H]- 487.217866 212.1
[M]+ 466.24265142 209.5
[M]- 466.24374858 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

literature stripe

Patent stripe

patents stripe