Metabolite Desmethyl-levofloxacin

Name

Desmethyl-levofloxacin

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

88ZBA45NC8

CAS number

Not Available

Weight

Average: 347.346
Monoisotopic: 347.128134235

Chemical Formula

C₁₇H₁₈FN₃O₄

InChI Key

WKRSSAPQZDHYRV-VIFPVBQESA-N

InChI

InChI=1S/C17H18FN3O4/c1-9-8-25-16-13-10(15(22)11(17(23)24)7-21(9)13)6-12(18)14(16)20-4-2-19-3-5-20/h6-7,9,19H,2-5,8H2,1H3,(H,23,24)/t9-/m0/s1

IUPAC Name

(2S)-7-fluoro-2-methyl-10-oxo-6-(piperazin-1-yl)-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

SMILES

[H][C@]1(C)COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCNCC1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000t-0009000000-85beec42900bdf2a4485
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0029000000-fba51d12c39ab767d5f4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0009000000-fd1004c9837a39fa91de
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0ue9-0059000000-881839e0d1c876e19ee7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0zfr-0029000000-2805222333d067a3cb54
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0fmi-0296000000-884a9f99994b1e3e24b9

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	175.53407	predicted	DeepCCS 1.0 (2019)
[M+H]+	177.89207	predicted	DeepCCS 1.0 (2019)
[M+Na]+	184.45947	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties