Metabolite Desethylene ciprofloxacin

Name

Desethylene ciprofloxacin

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Y7A089AJ9Y

CAS number

Not Available

Weight

Average: 305.309
Monoisotopic: 305.11756955

Chemical Formula

C₁₅H₁₆FN₃O₃

InChI Key

ZYLULTURYPAERI-UHFFFAOYSA-N

InChI

InChI=1S/C15H16FN3O3/c16-11-5-9-13(6-12(11)18-4-3-17)19(8-1-2-8)7-10(14(9)20)15(21)22/h5-8,18H,1-4,17H2,(H,21,22)

IUPAC Name

7-[(2-aminoethyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

SMILES

NCCNC1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1)C(O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0039000000-f9fb7688aaa1fa4d8818
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0f6x-0093000000-53bb321473a5a64041be
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-fad6cf34330c51801a99
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-1097000000-cfedd4a7179511351bca
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-f5b95aa32616e54f97f1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014l-0090000000-0f3d9a8b385e243761ec

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	173.73027	predicted	DeepCCS 1.0 (2019)
[M+H]+	176.08824	predicted	DeepCCS 1.0 (2019)
[M+Na]+	182.1814	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties