CID 43815

Paroxetine

Structural Information

Molecular Formula
C19H20FNO3
SMILES
C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
InChIKey
AHOUBRCZNHFOSL-YOEHRIQHSA-N
Compound name
(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

6229
References

69813
Patents

329.14273 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.15001 175.6
[M+Na]+ 352.13195 181.1
[M-H]- 328.13545 182.6
[M+NH4]+ 347.17655 186.9
[M+K]+ 368.10589 177.8
[M+H-H2O]+ 312.13999 165.9
[M+HCOO]- 374.14093 189.2
[M+CH3COO]- 388.15658 185.1
[M+Na-2H]- 350.11740 177.4
[M]+ 329.14218 171.9
[M]- 329.14328 171.9
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.