Metabolite N-OH-riluzole

Name

N-OH-riluzole

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

WMF9D045NF

CAS number

Not Available

Weight

Average: 250.2
Monoisotopic: 250.002383072

Chemical Formula

C₈H₅F₃N₂O₂S

InChI Key

MFGRTKLVQQZZIE-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F3N2O2S/c9-8(10,11)15-4-1-2-5-6(3-4)16-7(12-5)13-14/h1-3,14H,(H,12,13)

IUPAC Name

N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]hydroxylamine

SMILES

[H]N(O)C1=NC2=C(S1)C([H])=C(OC(F)(F)F)C([H])=C2[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0090000000-6249dca857f9f69aadd8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0090000000-3c0be350f6ae197de704
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0090000000-28b31d62c9774e4b8da7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00kg-0590000000-d1abdbff1b4def40c2ce
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0bta-0970000000-6b0c0e415a02dc3eb547
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0ap0-0960000000-8f70f07baf9be799c392

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	154.10934	predicted	DeepCCS 1.0 (2019)
[M+H]+	156.46735	predicted	DeepCCS 1.0 (2019)
[M+Na]+	164.09367	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties