Metabolite Carboxy tedizolid

Name

Carboxy tedizolid

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

G5ADH118ED

CAS number

Not Available

Weight

Average: 384.327
Monoisotopic: 384.098231086

Chemical Formula

C₁₇H₁₃FN₆O₄

InChI Key

ZVOALCPUWJGRDY-CQSZACIVSA-N

InChI

InChI=1S/C17H13FN6O4/c1-23-21-15(20-22-23)13-5-2-9(7-19-13)11-4-3-10(6-12(11)18)24-8-14(16(25)26)28-17(24)27/h2-7,14H,8H2,1H3,(H,25,26)/t14-/m1/s1

IUPAC Name

(5R)-3-{3-fluoro-4-[6-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidine-5-carboxylic acid

SMILES

CN1N=NC(=N1)C1=NC=C(C=C1)C1=C(F)C=C(C=C1)N1C[C@@H](OC1=O)C(O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00kr-0009000000-1c697fb26e20e6ddca60
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0009000000-e459c9393aceaf403178
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00or-0009000000-8a78d9bb1ce07145034b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0069000000-6e7e51f587c8fca9ca50
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01ox-0049000000-1de0f13fd5be14864853
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014j-1094000000-891c96256df04263a53c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	187.29506	predicted	DeepCCS 1.0 (2019)
[M+H]+	189.65306	predicted	DeepCCS 1.0 (2019)
[M+Na]+	196.1611	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties