Metabolite N-desmethylatomoxetine

Name

N-desmethylatomoxetine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

0OAZ8PB6S3

CAS number

Not Available

Weight

Average: 241.334
Monoisotopic: 241.146664236

Chemical Formula

C₁₆H₁₉NO

InChI Key

QEXPFYRHIYKWEW-MRXNPFEDSA-N

InChI

InChI=1S/C16H19NO/c1-13-7-5-6-10-15(13)18-16(11-12-17)14-8-3-2-4-9-14/h2-10,16H,11-12,17H2,1H3/t16-/m1/s1

IUPAC Name

(3R)-3-(2-methylphenoxy)-3-phenylpropan-1-amine

SMILES

CC1=CC=CC=C1O[C@H](CCN)C1=CC=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-015c-3900000000-be2e389b05e65225a3a6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0zfr-0900000000-f891b387e50b1c120a2d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0900000000-ba207494e9d1368b87b9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-2900000000-a6369d658f0392e5776d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00kf-9200000000-0d353d1d6a0bb6a7859e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-3900000000-721e0bacc1afb9051a34

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	154.01353	predicted	DeepCCS 1.0 (2019)
[M+H]+	156.40894	predicted	DeepCCS 1.0 (2019)
[M+Na]+	162.46468	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties