CID 178087

Fandofloxacino

Structural Information

Molecular Formula
C20H18F2N4O3
SMILES
CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=NC=C(C=C4)F)F
InChI
InChI=1S/C20H18F2N4O3/c1-24-4-6-25(7-5-24)17-9-16-13(8-15(17)22)19(27)14(20(28)29)11-26(16)18-3-2-12(21)10-23-18/h2-3,8-11H,4-7H2,1H3,(H,28,29)
InChIKey
AWCAUUQZTXYMPB-UHFFFAOYSA-N
Compound name
6-fluoro-1-(5-fluoropyridin-2-yl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

168
Patents

400.1347 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14198 196.8
[M+Na]+ 423.12392 210.0
[M+NH4]+ 418.16852 200.5
[M+K]+ 439.09786 203.7
[M-H]- 399.12742 197.2
[M+Na-2H]- 421.10937 201.3
[M]+ 400.13415 198.4
[M]- 400.13525 198.4
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