Metabolite 5-Hydroxy pirfenidone

Name

5-Hydroxy pirfenidone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 201.225
Monoisotopic: 201.078978598

Chemical Formula

C₁₂H₁₁NO₂

InChI Key

YLTGBKWRQSGNOI-UHFFFAOYSA-N

InChI

InChI=1S/C12H11NO2/c14-9-10-6-7-12(15)13(8-10)11-4-2-1-3-5-11/h1-8,14H,9H2

IUPAC Name

5-(hydroxymethyl)-1-phenyl-1,2-dihydropyridin-2-one

SMILES

OCC1=CN(C(=O)C=C1)C1=CC=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0390000000-408eccdd144cb3b2497f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0uk9-0490000000-21892034754d0e6bad4f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0910000000-eb0234d1cd02ac331a23
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0fkc-4910000000-0f4e92aa8d6c6bfcb970
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0pvi-9600000000-0f2b5cdd89550b23e148
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0gb9-9800000000-5c8979a6e29f42c4c9b4

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	151.4827121	predicted	DarkChem Lite v0.1.0
[M-H]-	142.11517	predicted	DeepCCS 1.0 (2019)
[M+H]+	151.7278121	predicted	DarkChem Lite v0.1.0
[M+H]+	144.51074	predicted	DeepCCS 1.0 (2019)
[M+Na]+	151.8369121	predicted	DarkChem Lite v0.1.0
[M+Na]+	150.50816	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties