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

3
Annotation Hits: 2
References: 47
Patents: 304.0518 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	305.059076	164.7
[M+Na]+	327.041018	178.6
[M-H]-	303.044524	168.4
[M+NH4]+	322.085623	181.9
[M+K]+	343.014958	173.5
[M+H-H2O]+	287.049060	159.0
[M+HCOO]-	349.050001	180.5
[M+CH3COO]-	363.065651	202.0
[M+Na-2H]-	325.026466	166.7
[M]+	304.05125142	173.3
[M]-	304.05234858	173.3

Literature stripe

literature stripe

Patent stripe

patents stripe