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	191.5
[M+Na]+	380.17446	200.9
[M-H]-	356.17796	196.1
[M+NH4]+	375.21906	198.7
[M+K]+	396.14840	192.2
[M+H-H2O]+	340.18250	181.0
[M+HCOO]-	402.18344	202.4
[M+CH3COO]-	416.19909	199.1
[M+Na-2H]-	378.15991	189.3
[M]+	357.18469	189.2
[M]-	357.18579	189.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

358.19252

191.5

[M+Na]+

380.17446

200.9

[M-H]-

356.17796

196.1

[M+NH4]+

375.21906

198.7

[M+K]+

396.14840

192.2

[M+H-H2O]+

340.18250

181.0

[M+HCOO]-

402.18344

202.4

[M+CH3COO]-

416.19909

199.1

[M+Na-2H]-

378.15991

189.3

[M]+

357.18469

189.2

[M]-

357.18579

189.2

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