PubChemLite - Levoflaxacin (C19H22FN3O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C19H22FN3O4/c1-11-10-27-18-15-12(17(24)13(9-23(11)15)19(25)26-3)8-14(20)16(18)22-6-4-21(2)5-7-22/h8-9,11H,4-7,10H2,1-3H3/t11-/m0/s1

InChIKey

HSVIINWFPKEOEQ-NSHDSACASA-N

Compound name

methyl (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]+	376.16670	192.2
[M+Na]+	398.14864	200.3
[M-H]-	374.15214	194.8
[M+NH4]+	393.19324	201.1
[M+K]+	414.12258	196.7
[M+H-H2O]+	358.15668	180.2
[M+HCOO]-	420.15762	200.7
[M+CH3COO]-	434.17327	200.2
[M+Na-2H]-	396.13409	192.4
[M]+	375.15887	192.3
[M]-	375.15997	192.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

376.16670

192.2

[M+Na]+

398.14864

200.3

[M-H]-

374.15214

194.8

[M+NH4]+

393.19324

201.1

[M+K]+

414.12258

196.7

[M+H-H2O]+

358.15668

180.2

[M+HCOO]-

420.15762

200.7

[M+CH3COO]-

434.17327

200.2

[M+Na-2H]-

396.13409

192.4

[M]+

375.15887

192.3

[M]-

375.15997

192.3

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

Levoflaxacin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe