CID 65788

Tioxacin

Structural Information

Molecular Formula
C14H12N2O4S
SMILES
CCN1C=C(C(=O)C2=C1C=CC3=C2SC(=O)N3C)C(=O)O
InChI
InChI=1S/C14H12N2O4S/c1-3-16-6-7(13(18)19)11(17)10-8(16)4-5-9-12(10)21-14(20)15(9)2/h4-6H,3H2,1-2H3,(H,18,19)
InChIKey
VUUPJGYIOAVFAN-UHFFFAOYSA-N
Compound name
6-ethyl-3-methyl-2,9-dioxo-[1,3]thiazolo[5,4-f]quinoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

47
Patents

304.0518 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05908 164.7
[M+Na]+ 327.04102 178.6
[M-H]- 303.04452 168.4
[M+NH4]+ 322.08562 181.9
[M+K]+ 343.01496 173.5
[M+H-H2O]+ 287.04906 159.0
[M+HCOO]- 349.05000 180.5
[M+CH3COO]- 363.06565 202.0
[M+Na-2H]- 325.02647 166.7
[M]+ 304.05125 173.3
[M]- 304.05235 173.3
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.