CID 388748

Nsc683829

Structural Information

Molecular Formula
C32H29F2NO4
SMILES
CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F)(C4=CC=C(C=C4)OC5=CC=C(C=C5)F)O
InChI
InChI=1S/C32H29F2NO4/c1-2-35-20-19-32(37,23-5-13-27(14-6-23)39-29-17-9-25(34)10-18-29)30(21-35)31(36)22-3-11-26(12-4-22)38-28-15-7-24(33)8-16-28/h3-18,30,37H,2,19-21H2,1H3
InChIKey
GMXBLSPFZOFZHR-UHFFFAOYSA-N
Compound name
[1-ethyl-4-[4-(4-fluorophenoxy)phenyl]-4-hydroxypiperidin-3-yl]-[4-(4-fluorophenoxy)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.2065 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.21378 232.8
[M+Na]+ 552.19572 237.3
[M-H]- 528.19922 241.9
[M+NH4]+ 547.24032 236.3
[M+K]+ 568.16966 230.2
[M+H-H2O]+ 512.20376 216.4
[M+HCOO]- 574.20470 244.5
[M+CH3COO]- 588.22035 237.6
[M+Na-2H]- 550.18117 229.0
[M]+ 529.20595 228.6
[M]- 529.20705 228.6
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.