Metabolite N-Desethyl milnacipran

Name

N-Desethyl milnacipran

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

WHM9921F76

CAS number

Not Available

Weight

Average: 218.3
Monoisotopic: 218.141913208

Chemical Formula

C₁₃H₁₈N₂O

InChI Key

UVKUMJGXPDEXSQ-UHFFFAOYSA-N

InChI

InChI=1S/C13H18N2O/c1-2-15-12(16)13(8-11(13)9-14)10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3,(H,15,16)

IUPAC Name

2-(aminomethyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide

SMILES

CCNC(=O)C1(CC1CN)C1=CC=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-1960000000-c51cac4a3fcbec440b54
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-3290000000-6baeb4c3d40b8e72aac1
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-2910000000-a33b38aa0df43e6abe6b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00r6-9660000000-15a6b6e5a9bfd1ae5e8b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00kf-9400000000-836df49994fa58352a23
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00or-9800000000-ef835955cff25e1202db

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	149.27032	predicted	DeepCCS 1.0 (2019)
[M+H]+	151.62834	predicted	DeepCCS 1.0 (2019)
[M+Na]+	157.80586	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties