PubChemLite - Decarboxy moxifloxacin (C20H24FN3O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H24FN3O2/c1-26-20-18-14(17(25)6-8-24(18)13-4-5-13)9-15(21)19(20)23-10-12-3-2-7-22-16(12)11-23/h6,8-9,12-13,16,22H,2-5,7,10-11H2,1H3/t12-,16+/m0/s1

InChIKey

OULQTEYVKYNDBD-BLLLJJGKSA-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-methoxyquinolin-4-one

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]+	358.19252	189.6
[M+Na]+	380.17446	203.1
[M+NH4]+	375.21906	197.2
[M+K]+	396.14840	198.6
[M-H]-	356.17796	199.0
[M+Na-2H]-	378.15991	195.1
[M]+	357.18469	195.1
[M]-	357.18579	195.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

358.19252

189.6

[M+Na]+

380.17446

203.1

[M+NH4]+

375.21906

197.2

[M+K]+

396.14840

198.6

[M-H]-

356.17796

199.0

[M+Na-2H]-

378.15991

195.1

[M]+

357.18469

195.1

[M]-

357.18579

195.1

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

Decarboxy moxifloxacin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe