Metabolite 4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one

Name

4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

F9XZ5A8H8W

CAS number

Not Available

Weight

Average: 193.1992
Monoisotopic: 193.073893223

Chemical Formula

C₁₀H₁₁NO₃

InChI Key

XZZMJRBYVRSAOS-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO3/c12-9-8(6-14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,11,13)

IUPAC Name

5-phenyl-5,6-dihydro-4H-1,3-oxazine-2,4-diol

SMILES

OC1N=C(O)OCC1C1=CC=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-00dl-3900000000-5e80893a8f38061556be
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004l-0900000000-45b41997dcd93f11ab23
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-4900000000-66bda35e2afff150eab1
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fb9-1900000000-98c2aa253fbe06d359a7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9200000000-29a55be961e445242d96
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fbc-9600000000-8f354cfefdb37a38afa6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9200000000-14dbe5a6b5ccf7f6aa12

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	147.0178362	predicted	DarkChem Lite v0.1.0
[M-H]-	146.9867362	predicted	DarkChem Lite v0.1.0
[M-H]-	134.80144	predicted	DeepCCS 1.0 (2019)
[M+H]+	147.6897362	predicted	DarkChem Lite v0.1.0
[M+H]+	147.7879362	predicted	DarkChem Lite v0.1.0
[M+H]+	137.3769	predicted	DeepCCS 1.0 (2019)
[M+Na]+	147.2082362	predicted	DarkChem Lite v0.1.0
[M+Na]+	147.2609362	predicted	DarkChem Lite v0.1.0
[M+Na]+	145.33788	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties