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
1
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]+ 360.17180 188.5
[M+Na]+ 382.15374 196.0
[M-H]- 358.15724 189.0
[M+NH4]+ 377.19834 198.6
[M+K]+ 398.12768 190.0
[M+H-H2O]+ 342.16178 177.1
[M+HCOO]- 404.16272 196.1
[M+CH3COO]- 418.17837 195.9
[M+Na-2H]- 380.13919 187.9
[M]+ 359.16397 184.9
[M]- 359.16507 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.