PubChemLite - Zabofloxacin (C19H20FN5O4)

Structural Information

Molecular Formula

SMILES

CO/N=C/1\CN(CC12CNC2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)F

InChI

InChI=1S/C19H20FN5O4/c1-29-23-14-6-24(9-19(14)7-21-8-19)17-13(20)4-11-15(26)12(18(27)28)5-25(10-2-3-10)16(11)22-17/h4-5,10,21H,2-3,6-9H2,1H3,(H,27,28)/b23-14+

InChIKey

ZNPOCLHDJCAZAH-OEAKJJBVSA-N

Compound name

1-cyclopropyl-6-fluoro-7-[(8Z)-8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl]-4-oxo-1,8-naphthyridine-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]+	402.15721	200.0
[M+Na]+	424.13915	207.3
[M+NH4]+	419.18375	202.1
[M+K]+	440.11309	205.3
[M-H]-	400.14265	204.9
[M+Na-2H]-	422.12460	203.3
[M]+	401.14938	202.1
[M]-	401.15048	202.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

402.15721

200.0

[M+Na]+

424.13915

207.3

[M+NH4]+

419.18375

202.1

[M+K]+

440.11309

205.3

[M-H]-

400.14265

204.9

[M+Na-2H]-

422.12460

203.3

[M]+

401.14938

202.1

[M]-

401.15048

202.1

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

Zabofloxacin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe