CID 3066410

110345-32-9

Structural Information

Molecular Formula
C20H22FNO2
SMILES
COC1=C(C=C(C=C1)C(=O)C(CN2CCCC2)C3=CC=CC=C3)F
InChI
InChI=1S/C20H22FNO2/c1-24-19-10-9-16(13-18(19)21)20(23)17(14-22-11-5-6-12-22)15-7-3-2-4-8-15/h2-4,7-10,13,17H,5-6,11-12,14H2,1H3
InChIKey
RYNUITJDBMNRMJ-UHFFFAOYSA-N
Compound name
1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

327.16345 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.17073 180.9
[M+Na]+ 350.15267 192.4
[M+NH4]+ 345.19727 187.9
[M+K]+ 366.12661 186.8
[M-H]- 326.15617 184.2
[M+Na-2H]- 348.13812 187.8
[M]+ 327.16290 183.3
[M]- 327.16400 183.3
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.