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 182.4
[M+Na]+ 362.15267 186.5
[M-H]- 338.15617 186.9
[M+NH4]+ 357.19727 194.7
[M+K]+ 378.12661 180.8
[M+H-H2O]+ 322.16071 172.0
[M+HCOO]- 384.16165 196.2
[M+CH3COO]- 398.17730 208.1
[M+Na-2H]- 360.13812 182.3
[M]+ 339.16290 175.7
[M]- 339.16400 175.7
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.