CID 128781

Sulfociprofloxacin

Structural Information

Molecular Formula
C17H18FN3O6S
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)O)F)C(=O)O
InChI
InChI=1S/C17H18FN3O6S/c18-13-7-11-14(21(10-1-2-10)9-12(16(11)22)17(23)24)8-15(13)19-3-5-20(6-4-19)28(25,26)27/h7-10H,1-6H2,(H,23,24)(H,25,26,27)
InChIKey
SDLYZOYQWKDWJG-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-4-oxo-7-(4-sulfopiperazin-1-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

8
Patents

411.09003 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.09731 194.6
[M+Na]+ 434.07925 203.6
[M-H]- 410.08275 197.4
[M+NH4]+ 429.12385 196.3
[M+K]+ 450.05319 196.3
[M+H-H2O]+ 394.08729 185.8
[M+HCOO]- 456.08823 200.0
[M+CH3COO]- 470.10388 219.1
[M+Na-2H]- 432.06470 194.1
[M]+ 411.08948 196.4
[M]- 411.09058 196.4
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