CID 166565

Binfloxacin

Structural Information

Molecular Formula
C19H22FN3O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN4CCC3CC4)F)C(=O)O
InChI
InChI=1S/C19H22FN3O3/c1-2-22-11-14(19(25)26)18(24)13-9-15(20)17(10-16(13)22)23-8-7-21-5-3-12(23)4-6-21/h9-12H,2-8H2,1H3,(H,25,26)
InChIKey
UBGCCYGMLOBJOJ-UHFFFAOYSA-N
Compound name
7-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

633
Patents

359.16452 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17180 186.2
[M+Na]+ 382.15374 196.6
[M-H]- 358.15724 186.6
[M+NH4]+ 377.19834 199.8
[M+K]+ 398.12768 192.6
[M+H-H2O]+ 342.16178 182.1
[M+HCOO]- 404.16272 191.5
[M+CH3COO]- 418.17837 193.3
[M+Na-2H]- 380.13919 192.1
[M]+ 359.16397 185.9
[M]- 359.16507 185.9
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