Metabolite N-Hydroxythalidomide

Name

N-Hydroxythalidomide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

S99D86TD4B

CAS number

Not Available

Weight

Average: 274.232
Monoisotopic: 274.05897143

Chemical Formula

C₁₃H₁₀N₂O₅

InChI Key

ATCLIPYVSYRXGS-UHFFFAOYSA-N

InChI

InChI=1S/C13H10N2O5/c16-10-6-5-9(13(19)15(10)20)14-11(17)7-3-1-2-4-8(7)12(14)18/h1-4,9,20H,5-6H2

IUPAC Name

2-(1-hydroxy-2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione

SMILES

ON1C(=O)CCC(N2C(=O)C3=CC=CC=C3C2=O)C1=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-002b-0960000000-3e365eaa040af601b0ea
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0920000000-162f4173626e074f4f1c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-1910000000-83b2338a615bcc39cb03
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004j-1950000000-ce26e60d8a84d9fbc6c2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-3900000000-b1dd0d9c015b29fbc08e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0007-7910000000-1c7cc4caa0dc2b42abb2

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	157.95557	predicted	DeepCCS 1.0 (2019)
[M+H]+	160.31358	predicted	DeepCCS 1.0 (2019)
[M+Na]+	166.40672	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties