Metabolite Ring-opened tedizolid metabolite

Name

Ring-opened tedizolid metabolite

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 328.307
Monoisotopic: 328.108401846

Chemical Formula

C₁₅H₁₃FN₆O₂

InChI Key

FPZODAVYJXEFCJ-UHFFFAOYSA-N

InChI

InChI=1S/C15H13FN6O2/c1-22-20-15(19-21-22)13-5-2-9(7-18-13)11-4-3-10(6-12(11)16)17-8-14(23)24/h2-7,17H,8H2,1H3,(H,23,24)

IUPAC Name

2-({3-fluoro-4-[6-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl}amino)acetic acid

SMILES

CN1N=NC(=N1)C1=NC=C(C=C1)C1=C(F)C=C(NCC(O)=O)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-3d46b4348ab7d175efc1
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03l0-0091000000-53e8e36eb4ef9523449f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0092000000-46e0cf87635ae7d6cf50
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-08os-0190000000-467135cc5a05cfcf59ed
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-08ir-0090000000-5d66f78ad2c71f111446
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0it9-0190000000-d6fbba2625ea981cff17

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	178.23457	predicted	DeepCCS 1.0 (2019)
[M+H]+	180.59258	predicted	DeepCCS 1.0 (2019)
[M+Na]+	187.33122	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties