Metabolite alpha-(o-carboxybenzamido)glutarimide

Name

alpha-(o-carboxybenzamido)glutarimide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 276.248
Monoisotopic: 276.074621494

Chemical Formula

C₁₃H₁₂N₂O₅

InChI Key

QTUSGYNZYGYXIN-UHFFFAOYSA-N

InChI

InChI=1S/C13H12N2O5/c16-10-6-5-9(12(18)15-10)14-11(17)7-3-1-2-4-8(7)13(19)20/h1-4,9H,5-6H2,(H,14,17)(H,19,20)(H,15,16,18)

IUPAC Name

2-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoic acid

SMILES

OC(=O)C1=C(C=CC=C1)C(=O)NC1CCC(=O)NC1=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0920000000-56c3c9f99264aa21514e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01z9-0980000000-276a174d17366d9d6c92
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-052b-0900000000-15ecbad2d81ff232c904
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004l-6920000000-4f3e55db0d3bb3c33c06
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0900000000-41e8863f2af0c7422dd1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a6u-5930000000-6a0ce245c9349c9c6230

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	165.07495	predicted	DeepCCS 1.0 (2019)
[M+H]+	167.43297	predicted	DeepCCS 1.0 (2019)
[M+Na]+	173.52641	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties