PubChemLite - Paroxetine (C19H20FNO3)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	330.15001	180.0
[M+Na]+	352.13195	192.7
[M+NH4]+	347.17655	187.7
[M+K]+	368.10589	187.2
[M-H]-	328.13545	186.5
[M+Na-2H]-	350.11740	185.0
[M]+	329.14218	183.6
[M]-	329.14328	183.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

330.15001

180.0

[M+Na]+

352.13195

192.7

[M+NH4]+

347.17655

187.7

[M+K]+

368.10589

187.2

[M-H]-

328.13545

186.5

[M+Na-2H]-

350.11740

185.0

[M]+

329.14218

183.6

[M]-

329.14328

183.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Paroxetine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe