Metabolite Desmethyl tedizolid

Name

Desmethyl tedizolid

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Z11QI50Q37

CAS number

Not Available

Weight

Average: 356.317
Monoisotopic: 356.103316466

Chemical Formula

C₁₆H₁₃FN₆O₃

InChI Key

MIXXTDJJUKULIC-LLVKDONJSA-N

InChI

InChI=1S/C16H13FN6O3/c17-13-5-10(23-7-11(8-24)26-16(23)25)2-3-12(13)9-1-4-14(18-6-9)15-19-21-22-20-15/h1-6,11,24H,7-8H2,(H,19,20,21,22)/t11-/m1/s1

IUPAC Name

(5R)-3-{3-fluoro-4-[6-(2H-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one

SMILES

OC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)C1=CN=C(C=C1)C1=NNN=N1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0009000000-f091a5c331811a4ba313
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-06rf-0049000000-3556155a864e62d0f10a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03dr-0019000000-ad906efaf9afa3f5ae63
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0039000000-faab80f32352226f5e85
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03fr-0059000000-8e6358f9e494b57e0d93
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0cgl-1098000000-2ce6c25efa06158d988c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	173.1416	predicted	DeepCCS 1.0 (2019)
[M+H]+	175.53177	predicted	DeepCCS 1.0 (2019)
[M+Na]+	182.17467	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties