Metabolite p-Hydroxyfelbamate

Name

p-Hydroxyfelbamate

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 254.2393
Monoisotopic: 254.090271568

Chemical Formula

C₁₁H₁₄N₂O₅

InChI Key

PXBZEVLDFAKFLV-UHFFFAOYSA-N

InChI

InChI=1S/C11H14N2O5/c12-10(15)17-5-8(6-18-11(13)16)7-1-3-9(14)4-2-7/h1-4,8,14H,5-6H2,(H2,12,15)(H2,13,16)

IUPAC Name

3-(carbamoyloxy)-2-(4-hydroxyphenyl)propyl carbamate

SMILES

NC(=O)OCC(COC(N)=O)C1=CC=C(O)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0006-6910000000-3c71e91f0aeefe597caf
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-015c-2900000000-155df55f99bcf3805a32
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-02t9-7900000000-f2a9e6555890b31fd514
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0089-0900000000-e51835161b11d0c5b97e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03dl-9000000000-49c0fc81447cab3cebbe
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-f521ddd42d52bf93ad8e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00sm-2910000000-b054e621c9d5211f2a4c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	161.8414701	predicted	DarkChem Lite v0.1.0
[M-H]-	159.85225	predicted	DeepCCS 1.0 (2019)
[M+H]+	161.9734701	predicted	DarkChem Lite v0.1.0
[M+H]+	162.21025	predicted	DeepCCS 1.0 (2019)
[M+Na]+	161.8308701	predicted	DarkChem Lite v0.1.0
[M+Na]+	168.30339	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties