Metabolite 5,6-dihydroxythalidomide

Name

5,6-dihydroxythalidomide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

QEA20YZ2JY

CAS number

Not Available

Weight

Average: 290.2283
Monoisotopic: 290.053886062

Chemical Formula

C₁₃H₁₀N₂O₆

InChI Key

JBCNYDFXFUMCRO-UHFFFAOYSA-N

InChI

InChI=1S/C13H10N2O6/c16-8-3-5-6(4-9(8)17)13(21)15(12(5)20)7-1-2-10(18)14-11(7)19/h3-4,7,16-17H,1-2H2,(H,14,18,19)

IUPAC Name

2-(2,6-dioxopiperidin-3-yl)-5,6-dihydroxy-2,3-dihydro-1H-isoindole-1,3-dione

SMILES

OC1=C(O)C=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0cfu-3590000000-ff7b00d6a4ba1c3309b4
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0920000000-855c40974c4dfce4b8ac
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0490000000-0d8bdcbc9be881652adb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-1890000000-60812711ba9ee474488d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-002r-0290000000-d72460243a5422372eda
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0abl-1920000000-272ec15c6f8d9288a68c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004l-2920000000-c987532d1611f8dedcdf

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	163.49191	predicted	DeepCCS 1.0 (2019)
[M+H]+	165.84991	predicted	DeepCCS 1.0 (2019)
[M+Na]+	172.3633	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties