Metabolite Moclobemide M3

Name

Moclobemide M3

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 284.74
Monoisotopic: 284.0927701

Chemical Formula

C₁₃H₁₇ClN₂O₃

InChI Key

BVURXODDQYSCJH-UHFFFAOYSA-N

InChI

InChI=1S/C13H17ClN2O3/c14-11-2-1-10(9-12(11)17)13(18)15-3-4-16-5-7-19-8-6-16/h1-2,9,17H,3-8H2,(H,15,18)

IUPAC Name

4-chloro-3-hydroxy-N-[2-(morpholin-4-yl)ethyl]benzamide

SMILES

OC1=C(Cl)C=CC(=C1)C(=O)NCCN1CCOCC1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03dr-0950000000-1c0ed159e3dabe326692
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0390000000-79bd595ad26c520abd4a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0900000000-6fa67ebba92fbf6090e8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0059-3590000000-9f9501e1d6f52a8ffcd3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0f9i-0920000000-d4a71e668a45af28795a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001l-9530000000-27adcc946e15b19eefe7

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	157.29132	predicted	DeepCCS 1.0 (2019)
[M+H]+	159.6869	predicted	DeepCCS 1.0 (2019)
[M+Na]+	165.67485	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties