CID 3386

Fluoxetine

Structural Information

Molecular Formula

C₁₇H₁₈F₃NO

SMILES

CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3

InChIKey

RTHCYVBBDHJXIQ-UHFFFAOYSA-N

Compound name

N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 13790
References: 90981
Patents: 309.13406 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

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]+	310.14134	173.0
[M+Na]+	332.12328	182.5
[M+NH4]+	327.16788	178.6
[M+K]+	348.09722	175.6
[M-H]-	308.12678	172.8
[M+Na-2H]-	330.10873	179.2
[M]+	309.13351	174.1
[M]-	309.13461	174.1

Literature stripe

literature stripe

Patent stripe

patents stripe