CID 54841

Atomoxetine

Structural Information

Molecular Formula
C17H21NO
SMILES
CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2
InChI
InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
InChIKey
VHGCDTVCOLNTBX-QGZVFWFLSA-N
Compound name
(3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2178
References

29257
Patents

255.16231 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 162.2
[M+Na]+ 278.15153 175.9
[M+NH4]+ 273.19613 171.2
[M+K]+ 294.12547 167.2
[M-H]- 254.15503 167.8
[M+Na-2H]- 276.13698 171.8
[M]+ 255.16176 165.8
[M]- 255.16286 165.8
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