Levofloxacin (C18H20FN3O4)

Structural Information

Molecular Formula

SMILES

C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O

InChI

InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1

InChIKey

GSDSWSVVBLHKDQ-JTQLQIEISA-N

Compound name

(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-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]+	362.15108	187.9
[M+Na]+	384.13302	196.0
[M-H]-	360.13652	189.4
[M+NH4]+	379.17762	196.6
[M+K]+	400.10696	191.8
[M+H-H2O]+	344.14106	176.5
[M+HCOO]-	406.14200	195.2
[M+CH3COO]-	420.15765	195.7
[M+Na-2H]-	382.11847	188.3
[M]+	361.14325	186.1
[M]-	361.14435	186.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

362.15108

187.9

[M+Na]+

384.13302

196.0

[M-H]-

360.13652

189.4

[M+NH4]+

379.17762

196.6

[M+K]+

400.10696

191.8

[M+H-H2O]+

344.14106

176.5

[M+HCOO]-

406.14200

195.2

[M+CH3COO]-

420.15765

195.7

[M+Na-2H]-

382.11847

188.3

[M]+

361.14325

186.1

[M]-

361.14435

186.1

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

Levofloxacin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe