Metabolite Fluvoxamino alcohol

Name

Fluvoxamino alcohol

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Y308JH639R

CAS number

Not Available

Weight

Average: 304.313
Monoisotopic: 304.139862349

Chemical Formula

C₁₄H₁₉F₃N₂O₂

InChI Key

GCSLDHTZSDNYEC-CPNJWEJPSA-N

InChI

InChI=1S/C14H19F3N2O2/c15-14(16,17)12-6-4-11(5-7-12)13(3-1-2-9-20)19-21-10-8-18/h4-7,20H,1-3,8-10,18H2/b19-13+

IUPAC Name

(5E)-5-[(2-aminoethoxy)imino]-5-[4-(trifluoromethyl)phenyl]pentan-1-ol

SMILES

[H]N([H])C([H])([H])C([H])([H])O\N=C(\C1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F)C([H])([H])C([H])([H])C([H])([H])C([H])([H])O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4u-1093000000-3e17315c5bc77fb0e928
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00dl-0390000000-089648ef5cbe8251da84
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00dj-0790000000-3bcb084d5a64f47ad0b4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0296-1090000000-4f9f2bae7f30a337f29c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-1960000000-551cc2ae7b2f8bd1534f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0400-0190000000-e7cdc64b788cecf7e064

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	170.77968	predicted	DeepCCS 1.0 (2019)
[M+H]+	172.67508	predicted	DeepCCS 1.0 (2019)
[M+Na]+	178.56648	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties