CID 6447493

Brn 4541163

Structural Information

Molecular Formula
C21H22FNO2
SMILES
C/C(=C\C(=O)C1=CC=C(C=C1)F)/N2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H22FNO2/c1-16(15-20(24)17-7-9-19(22)10-8-17)23-13-11-21(25,12-14-23)18-5-3-2-4-6-18/h2-10,15,25H,11-14H2,1H3/b16-15+
InChIKey
HGSIMKRRBSLJGE-FOCLMDBBSA-N
Compound name
(E)-1-(4-fluorophenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.16345 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17073 184.2
[M+Na]+ 362.15267 196.3
[M+NH4]+ 357.19727 192.1
[M+K]+ 378.12661 186.8
[M-H]- 338.15617 187.5
[M+Na-2H]- 360.13812 192.7
[M]+ 339.16290 186.8
[M]- 339.16400 186.8
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.