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

6876
Patents

311.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 177.2
[M+Na]+ 334.17776 192.1
[M+NH4]+ 329.22236 185.9
[M+K]+ 350.15170 182.9
[M-H]- 310.18126 183.7
[M+Na-2H]- 332.16321 186.7
[M]+ 311.18799 181.3
[M]- 311.18909 181.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe