PubChemLite - Nadifloxacin (C19H21FN2O4)

Structural Information

Molecular Formula

SMILES

CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(CC4)O)F)C(=O)O

InChI

InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26)

InChIKey

JYJTVFIEFKZWCJ-UHFFFAOYSA-N

Compound name

7-fluoro-8-(4-hydroxypiperidin-1-yl)-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-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]+	361.15581	185.3
[M+Na]+	383.13775	197.0
[M+NH4]+	378.18235	191.0
[M+K]+	399.11169	191.3
[M-H]-	359.14125	185.6
[M+Na-2H]-	381.12320	186.4
[M]+	360.14798	186.7
[M]-	360.14908	186.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

361.15581

185.3

[M+Na]+

383.13775

197.0

[M+NH4]+

378.18235

191.0

[M+K]+

399.11169

191.3

[M-H]-

359.14125

185.6

[M+Na-2H]-

381.12320

186.4

[M]+

360.14798

186.7

[M]-

360.14908

186.7

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

Nadifloxacin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe