CID 71235

Vebufloxacin

Structural Information

Molecular Formula
C19H22FN3O3
SMILES
CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O
InChI
InChI=1S/C19H22FN3O3/c1-11-3-4-12-16-13(18(24)14(19(25)26)10-23(11)16)9-15(20)17(12)22-7-5-21(2)6-8-22/h9-11H,3-8H2,1-2H3,(H,25,26)
InChIKey
JATLJHBAMQKRDH-UHFFFAOYSA-N
Compound name
7-fluoro-12-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

567
Patents

359.16452 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.171796 188.5
[M+Na]+ 382.153738 196.0
[M-H]- 358.157244 189.0
[M+NH4]+ 377.198343 198.6
[M+K]+ 398.127678 190.0
[M+H-H2O]+ 342.161780 177.1
[M+HCOO]- 404.162721 196.1
[M+CH3COO]- 418.178371 195.9
[M+Na-2H]- 380.139186 187.9
[M]+ 359.16397142 184.9
[M]- 359.16506858 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe