CID 71750858

Moxifloxacin n-sulfate

Structural Information

Molecular Formula
C21H24FN3O7S
SMILES
COC1=C2C(=CC(=C1N3C[C@@H]4CCCN([C@@H]4C3)S(=O)(=O)O)F)C(=O)C(=CN2C5CC5)C(=O)O
InChI
InChI=1S/C21H24FN3O7S/c1-32-20-17-13(19(26)14(21(27)28)9-24(17)12-4-5-12)7-15(22)18(20)23-8-11-3-2-6-25(16(11)10-23)33(29,30)31/h7,9,11-12,16H,2-6,8,10H2,1H3,(H,27,28)(H,29,30,31)/t11-,16+/m0/s1
InChIKey
NOSMZVFHCRCXNK-MEDUHNTESA-N
Compound name
7-[(4aS,7aS)-1-sulfo-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

481.1319 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.13918 210.7
[M+Na]+ 504.12112 219.1
[M-H]- 480.12462 214.2
[M+NH4]+ 499.16572 212.6
[M+K]+ 520.09506 212.2
[M+H-H2O]+ 464.12916 203.8
[M+HCOO]- 526.13010 213.6
[M+CH3COO]- 540.14575 233.4
[M+Na-2H]- 502.10657 207.6
[M]+ 481.13135 214.8
[M]- 481.13245 214.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.