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

7
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.