CID 54707628

Methyl 4-hydroxy-2h-thieno[2,3-e][1,2]thiazine-3-carboxylate 1,1-dioxide

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 148.9
[M+Na]+ 283.96578 159.4
[M-H]- 259.96928 149.9
[M+NH4]+ 279.01038 168.6
[M+K]+ 299.93972 155.2
[M+H-H2O]+ 243.97382 145.6
[M+HCOO]- 305.97476 158.4
[M+CH3COO]- 319.99041 183.8
[M+Na-2H]- 281.95123 151.4
[M]+ 260.97601 153.1
[M]- 260.97711 153.1
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