Metabolite N-OH-phenacetin

Name

N-OH-phenacetin

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

BX808PYL73

CAS number

Not Available

Weight

Average: 195.218
Monoisotopic: 195.089543283

Chemical Formula

C₁₀H₁₃NO₃

InChI Key

GPMYDZBSYQUDJZ-UHFFFAOYSA-N

InChI

InChI=1S/C10H13NO3/c1-3-14-10-6-4-9(5-7-10)11(13)8(2)12/h4-7,13H,3H2,1-2H3

IUPAC Name

N-(4-ethoxyphenyl)-N-hydroxyacetamide

SMILES

[H]C1=C([H])C(=C([H])C([H])=C1OC([H])([H])C([H])([H])[H])N(O)C(=O)C([H])([H])[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0900000000-8af88c34185308177c18
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-002f-0900000000-a7580bf3f17d54bca426
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0f79-0900000000-20d539a33dc55d4f35b5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-9300000000-7371cc5ccab69e9758e8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-05gi-4900000000-ab2273747c1183b03e26
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-05fu-3900000000-e96c9c31d81fa7c731d1

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	153.6957534	predicted	DarkChem Lite v0.1.0
[M-H]-	149.67	predicted	DeepCCS 1.0 (2019)
[M+H]+	154.3665534	predicted	DarkChem Lite v0.1.0
[M+H]+	151.64941	predicted	DeepCCS 1.0 (2019)
[M+Na]+	153.7684534	predicted	DarkChem Lite v0.1.0
[M+Na]+	157.93326	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties