CID 3034596

65201-21-0

Structural Information

Molecular Formula
C21H22FNO2
SMILES
C/C(=C\N1CCC(CC1)(C2=CC=CC=C2)O)/C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H22FNO2/c1-16(20(24)17-7-9-19(22)10-8-17)15-23-13-11-21(25,12-14-23)18-5-3-2-4-6-18/h2-10,15,25H,11-14H2,1H3/b16-15+
InChIKey
QFHKQDVDROUZHE-FOCLMDBBSA-N
Compound name
(E)-1-(4-fluorophenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)-2-methylprop-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]+ 340.170726 182.4
[M+Na]+ 362.152668 186.5
[M-H]- 338.156174 186.9
[M+NH4]+ 357.197273 194.7
[M+K]+ 378.126608 180.8
[M+H-H2O]+ 322.160710 172.0
[M+HCOO]- 384.161651 196.2
[M+CH3COO]- 398.177301 208.1
[M+Na-2H]- 360.138116 182.3
[M]+ 339.16290142 175.7
[M]- 339.16399858 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.