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

5
Patents

183.99426 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.00154 131.5
[M+Na]+ 206.98348 143.9
[M-H]- 182.98698 133.3
[M+NH4]+ 202.02808 153.7
[M+K]+ 222.95742 140.5
[M+H-H2O]+ 166.99152 126.8
[M+HCOO]- 228.99246 148.3
[M+CH3COO]- 243.00811 172.3
[M+Na-2H]- 204.96893 137.4
[M]+ 183.99371 133.6
[M]- 183.99481 133.6
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

patents stripe