Metabolite 5-Hydroxy-lenalidomide

Name

5-Hydroxy-lenalidomide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

LB9TF67ZH6

CAS number

Not Available

Weight

Average: 275.264
Monoisotopic: 275.090605911

Chemical Formula

C₁₃H₁₃N₃O₄

InChI Key

XHIRLGUOUTXTHY-UHFFFAOYSA-N

InChI

InChI=1S/C13H13N3O4/c14-11-7-5-16(8-2-4-10(18)15-12(8)19)13(20)6(7)1-3-9(11)17/h1,3,8,17H,2,4-5,14H2,(H,15,18,19)

IUPAC Name

3-(4-amino-5-hydroxy-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione

SMILES

NC1=C(O)C=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	splash10-004i-0190000000-1aadfd9a1eea5becb733
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00mk-0970000000-b17844603bbdc63d4a25
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0390000000-5cd123643eeb22d45653
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-044j-0910000000-64b88593edb554c29d92
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0f8a-1390000000-bb3f8291a1834190756f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-6930000000-135680f5b64856d5c96b

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	163.64674	predicted	DeepCCS 1.0 (2019)
[M+H]+	166.00475	predicted	DeepCCS 1.0 (2019)
[M+Na]+	172.09789	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties

Metabolite 5­-Hydroxy-lenalidomide