CID 65995

Cetefloxacin

Structural Information

Molecular Formula
C20H16F3N3O3
SMILES
C[C@H]1[C@@H](CN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F)N
InChI
InChI=1S/C20H16F3N3O3/c1-9-15(24)8-25(9)18-6-17-11(5-14(18)23)19(27)12(20(28)29)7-26(17)16-3-2-10(21)4-13(16)22/h2-7,9,15H,8,24H2,1H3,(H,28,29)/t9-,15+/m0/s1
InChIKey
LTDOHCZUKCZDEQ-BJOHPYRUSA-N
Compound name
7-[(2S,3R)-3-amino-2-methylazetidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

385
Patents

403.11438 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.12166 202.8
[M+Na]+ 426.10360 210.1
[M+NH4]+ 421.14820 202.6
[M+K]+ 442.07754 205.7
[M-H]- 402.10710 200.1
[M+Na-2H]- 424.08905 202.8
[M]+ 403.11383 201.7
[M]- 403.11493 201.7
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