CID 15044432

2h,3h-1lambda6-[1,2]thiazolo[5,4-b]pyridine-1,1,3-trione

Structural Information

Molecular Formula

C₆H₄N₂O₃S

SMILES

C1=CC2=C(N=C1)S(=O)(=O)NC2=O

InChI

InChI=1S/C6H4N2O3S/c9-5-4-2-1-3-7-6(4)12(10,11)8-5/h1-3H,(H,8,9)

InChIKey

TYWYQFLITLNVEM-UHFFFAOYSA-N

Compound name

1,1-dioxo-[1,2]thiazolo[5,4-b]pyridin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 183.99426 Da
Monoisotopic Mass: -0.3
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]+	185.001536	131.5
[M+Na]+	206.983478	143.9
[M-H]-	182.986984	133.3
[M+NH4]+	202.028083	153.7
[M+K]+	222.957418	140.5
[M+H-H2O]+	166.991520	126.8
[M+HCOO]-	228.992461	148.3
[M+CH3COO]-	243.008111	172.3
[M+Na-2H]-	204.968926	137.4
[M]+	183.99371142	133.6
[M]-	183.99480858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe