CID 152946

Moxifloxacin

Structural Information

Molecular Formula
C21H24FN3O4
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

compound 2d structure
8
Annotation Hits

4732
References

40662
Patents

401.17508 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.