PubChemLite - Desmethyl levofloxacin (C17H18FN3O4)

Structural Information

Molecular Formula

SMILES

C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCNCC4)F)C(=O)O

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

InChIKey

WKRSSAPQZDHYRV-VIFPVBQESA-N

Compound name

(2S)-7-fluoro-2-methyl-10-oxo-6-piperazin-1-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	348.13542	182.3
[M+Na]+	370.11736	194.2
[M+NH4]+	365.16196	187.4
[M+K]+	386.09130	189.2
[M-H]-	346.12086	183.1
[M+Na-2H]-	368.10281	182.9
[M]+	347.12759	183.8
[M]-	347.12869	183.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

348.13542

182.3

[M+Na]+

370.11736

194.2

[M+NH4]+

365.16196

187.4

[M+K]+

386.09130

189.2

[M-H]-

346.12086

183.1

[M+Na-2H]-

368.10281

182.9

[M]+

347.12759

183.8

[M]-

347.12869

183.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Desmethyl levofloxacin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe