PubChemLite - Levofloxacin n-oxide (C18H20FN3O5)

Structural Information

Molecular Formula

SMILES

C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CC[N+](CC4)(C)[O-])F)C(=O)O

InChI

InChI=1S/C18H20FN3O5/c1-10-9-27-17-14-11(16(23)12(18(24)25)8-21(10)14)7-13(19)15(17)20-3-5-22(2,26)6-4-20/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1

InChIKey

MVLAUMUQGRQERL-JTQLQIEISA-N

Compound name

(2S)-7-fluoro-2-methyl-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-10-oxo-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]+	378.14598	186.6
[M+Na]+	400.12792	193.9
[M-H]-	376.13142	186.9
[M+NH4]+	395.17252	195.6
[M+K]+	416.10186	185.0
[M+H-H2O]+	360.13596	180.0
[M+HCOO]-	422.13690	192.9
[M+CH3COO]-	436.15255	208.9
[M+Na-2H]-	398.11337	191.0
[M]+	377.13815	182.1
[M]-	377.13925	182.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

378.14598

186.6

[M+Na]+

400.12792

193.9

[M-H]-

376.13142

186.9

[M+NH4]+

395.17252

195.6

[M+K]+

416.10186

185.0

[M+H-H2O]+

360.13596

180.0

[M+HCOO]-

422.13690

192.9

[M+CH3COO]-

436.15255

208.9

[M+Na-2H]-

398.11337

191.0

[M]+

377.13815

182.1

[M]-

377.13925

182.1

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

Levofloxacin n-oxide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe