Metabolite oxociprofloxacin

Name

oxociprofloxacin

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Y901RQ8CDM

CAS number

Not Available

Weight

Average: 345.33
Monoisotopic: 345.11248417

Chemical Formula

C₁₇H₁₆FN₃O₄

InChI Key

MYYZZOHRULFPOQ-UHFFFAOYSA-N

InChI

InChI=1S/C17H16FN3O4/c18-12-5-10-13(6-14(12)20-4-3-19-15(22)8-20)21(9-1-2-9)7-11(16(10)23)17(24)25/h5-7,9H,1-4,8H2,(H,19,22)(H,24,25)

IUPAC Name

1-cyclopropyl-6-fluoro-4-oxo-7-(3-oxopiperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid

SMILES

OC(=O)C1=CN(C2CC2)C2=CC(N3CCNC(=O)C3)=C(F)C=C2C1=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-002b-0009000000-fa28dee4feb3cba44384
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0f89-0089000000-3bc721be1ba585a19380
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-396d638d8cc52f978ab8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0w2c-1098000000-763cd7c40ee389483179
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0059000000-c1d76ec502bf31964212
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0bt9-0091000000-4ad0a2bb5199b0ac54d6

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	175.40648	predicted	DeepCCS 1.0 (2019)
[M+H]+	177.76451	predicted	DeepCCS 1.0 (2019)
[M+Na]+	184.62514	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties