PubChemLite - Moxifloxacin (C21H24FN3O4)

Structural Information

Molecular Formula

SMILES

COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1

InChIKey

FABPRXSRWADJSP-MEDUHNTESA-N

Compound name

7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-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]+	402.18236	199.2
[M+Na]+	424.16430	207.9
[M-H]-	400.16780	202.7
[M+NH4]+	419.20890	203.8
[M+K]+	440.13824	199.3
[M+H-H2O]+	384.17234	189.7
[M+HCOO]-	446.17328	207.6
[M+CH3COO]-	460.18893	205.6
[M+Na-2H]-	422.14975	195.1
[M]+	401.17453	197.7
[M]-	401.17563	197.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

402.18236

199.2

[M+Na]+

424.16430

207.9

[M-H]-

400.16780

202.7

[M+NH4]+

419.20890

203.8

[M+K]+

440.13824

199.3

[M+H-H2O]+

384.17234

189.7

[M+HCOO]-

446.17328

207.6

[M+CH3COO]-

460.18893

205.6

[M+Na-2H]-

422.14975

195.1

[M]+

401.17453

197.7

[M]-

401.17563

197.7

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

Moxifloxacin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe