PubChemLite - Levofloxacin isopropyl ester (C21H26FN3O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C21H26FN3O4/c1-12(2)29-21(27)15-10-25-13(3)11-28-20-17(25)14(19(15)26)9-16(22)18(20)24-7-5-23(4)6-8-24/h9-10,12-13H,5-8,11H2,1-4H3/t13-/m0/s1

InChIKey

IXQZLXNKJACFQB-ZDUSSCGKSA-N

Compound name

propan-2-yl (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-carboxylate

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]+	404.19801	199.4
[M+Na]+	426.17995	211.5
[M+NH4]+	421.22455	204.3
[M+K]+	442.15389	206.0
[M-H]-	402.18345	200.8
[M+Na-2H]-	424.16540	199.6
[M]+	403.19018	201.3
[M]-	403.19128	201.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

404.19801

199.4

[M+Na]+

426.17995

211.5

[M+NH4]+

421.22455

204.3

[M+K]+

442.15389

206.0

[M-H]-

402.18345

200.8

[M+Na-2H]-

424.16540

199.6

[M]+

403.19018

201.3

[M]-

403.19128

201.3

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

Levofloxacin isopropyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe