CID 3024533

4-piperidinol, 1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(4-fluorophenyl)-, hydrochloride

Structural Information

Molecular Formula
C26H26F3NO2
SMILES
C1CN(CCC1(C2=CC=C(C=C2)F)O)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C26H26F3NO2/c27-22-7-1-19(2-8-22)25(20-3-9-23(28)10-4-20)32-18-17-30-15-13-26(31,14-16-30)21-5-11-24(29)12-6-21/h1-12,25,31H,13-18H2
InChIKey
YTWCDVABRTUDKE-UHFFFAOYSA-N
Compound name
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(4-fluorophenyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.19156 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.19884 208.9
[M+Na]+ 464.18078 213.6
[M-H]- 440.18428 213.7
[M+NH4]+ 459.22538 216.8
[M+K]+ 480.15472 206.0
[M+H-H2O]+ 424.18882 194.1
[M+HCOO]- 486.18976 220.4
[M+CH3COO]- 500.20541 214.9
[M+Na-2H]- 462.16623 206.6
[M]+ 441.19101 201.8
[M]- 441.19211 201.8
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.