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 178.3
[M+Na]+ 350.15267 182.7
[M-H]- 326.15617 184.5
[M+NH4]+ 345.19727 191.8
[M+K]+ 366.12661 178.3
[M+H-H2O]+ 310.16071 167.9
[M+HCOO]- 372.16165 196.0
[M+CH3COO]- 386.17730 208.8
[M+Na-2H]- 348.13812 176.3
[M]+ 327.16290 175.8
[M]- 327.16400 175.8
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.