CID 6474645

(e)-4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)but-2-en-1-one

Structural Information

Molecular Formula
C21H21ClFNO2
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C/C=C/C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H21ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h1-10,26H,11-15H2/b2-1+
InChIKey
OSPPRPYKZVTICX-OWOJBTEDSA-N
Compound name
(E)-4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

373.12448 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13176 187.8
[M+Na]+ 396.11370 193.9
[M-H]- 372.11720 192.4
[M+NH4]+ 391.15830 200.0
[M+K]+ 412.08764 186.1
[M+H-H2O]+ 356.12174 177.8
[M+HCOO]- 418.12268 198.1
[M+CH3COO]- 432.13833 212.0
[M+Na-2H]- 394.09915 187.7
[M]+ 373.12393 184.4
[M]- 373.12503 184.4
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.