CID 56206

Difloxacin

Structural Information

Molecular Formula
C21H19F2N3O3
SMILES
CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F
InChI
InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)
InChIKey
NOCJXYPHIIZEHN-UHFFFAOYSA-N
Compound name
6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

231
References

6477
Patents

399.13943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.14671 197.2
[M+Na]+ 422.12865 210.5
[M+NH4]+ 417.17325 201.6
[M+K]+ 438.10259 203.7
[M-H]- 398.13215 198.4
[M+Na-2H]- 420.11410 202.0
[M]+ 399.13888 199.1
[M]- 399.13998 199.1
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