Metabolite N-acetyl-lenalidomide

Name

N-acetyl-lenalidomide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

NJV98AX5KE

CAS number

Not Available

Weight

Average: 301.302
Monoisotopic: 301.106255975

Chemical Formula

C₁₅H₁₅N₃O₄

InChI Key

IUJSAVPLRWRWOF-UHFFFAOYSA-N

InChI

InChI=1S/C15H15N3O4/c1-8(19)16-11-4-2-3-9-10(11)7-18(15(9)22)12-5-6-13(20)17-14(12)21/h2-4,12H,5-7H2,1H3,(H,16,19)(H,17,20,21)

IUPAC Name

N-[2-(6-hydroxy-2-oxo-2,3,4,5-tetrahydropyridin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]acetamide

SMILES

CC(=O)NC1=CC=CC2=C1CN(C1CCC(O)=NC1=O)C2=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0109000000-2f0bfc11907e72b1f1e2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-0169000000-0b12260ddacba99e7615
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fdn-0963000000-45dd96ae0fa8edc0eca3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00bi-2391000000-cf3121df0f5604a3b551
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001j-0920000000-249531d90f421d0f760c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-4960000000-d44ffd3959bd720fdf68

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	166.06415	predicted	DeepCCS 1.0 (2019)
[M+H]+	168.42215	predicted	DeepCCS 1.0 (2019)
[M+Na]+	174.5153	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties