CID 3012003

Femoxetine

Structural Information

Molecular Formula

C₂₀H₂₅NO₂

SMILES

CN1CC[C@@H]([C@H](C1)COC2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H25NO2/c1-21-13-12-20(16-6-4-3-5-7-16)17(14-21)15-23-19-10-8-18(22-2)9-11-19/h3-11,17,20H,12-15H2,1-2H3/t17-,20-/m1/s1

InChIKey

OJSFTALXCYKKFQ-YLJYHZDGSA-N

Compound name

(3R,4S)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 63
References: 7172
Patents: 311.18854 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]+	312.19582	176.3
[M+Na]+	334.17776	181.0
[M-H]-	310.18126	183.5
[M+NH4]+	329.22236	189.0
[M+K]+	350.15170	176.6
[M+H-H2O]+	294.18580	165.9
[M+HCOO]-	356.18674	194.6
[M+CH3COO]-	370.20239	207.0
[M+Na-2H]-	332.16321	178.2
[M]+	311.18799	174.7
[M]-	311.18909	174.7

Literature stripe

literature stripe

Patent stripe

patents stripe