CID 54707628

98827-44-2

Structural Information

Molecular Formula
C8H7NO5S2
SMILES
COC(=O)C1=C(C2=C(C=CS2)S(=O)(=O)N1)O
InChI
InChI=1S/C8H7NO5S2/c1-14-8(11)5-6(10)7-4(2-3-15-7)16(12,13)9-5/h2-3,9-10H,1H3
InChIKey
QHDGDSKIUCBIGS-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-1,1-dioxo-2H-thieno[2,3-e]thiazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.97656 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.98384 153.0
[M+Na]+ 283.96578 161.8
[M+NH4]+ 279.01038 160.7
[M+K]+ 299.93972 154.9
[M-H]- 259.96928 151.4
[M+Na-2H]- 281.95123 155.5
[M]+ 260.97601 154.5
[M]- 260.97711 154.5
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