PubChemLite - Pazufloxacin (C16H15FN2O4)

Structural Information

Molecular Formula

SMILES

C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2C4(CC4)N)F)C(=O)O

InChI

InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)/t7-/m0/s1

InChIKey

XAGMUUZPGZWTRP-ZETCQYMHSA-N

Compound name

(2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-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]+	319.10888	173.1
[M+Na]+	341.09082	186.5
[M+NH4]+	336.13542	181.5
[M+K]+	357.06476	181.2
[M-H]-	317.09432	182.6
[M+Na-2H]-	339.07627	179.0
[M]+	318.10105	178.9
[M]-	318.10215	178.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

319.10888

173.1

[M+Na]+

341.09082

186.5

[M+NH4]+

336.13542

181.5

[M+K]+

357.06476

181.2

[M-H]-

317.09432

182.6

[M+Na-2H]-

339.07627

179.0

[M]+

318.10105

178.9

[M]-

318.10215

178.9

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

Pazufloxacin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe