CID 54690599

59804-25-0

Structural Information

Molecular Formula
C9H9NO5S2
SMILES
CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)OC
InChI
InChI=1S/C9H9NO5S2/c1-10-6(9(12)15-2)7(11)8-5(3-4-16-8)17(10,13)14/h3-4,11H,1-2H3
InChIKey
OKNMAOBDSCJUDO-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

274.99222 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.99950 152.0
[M+Na]+ 297.98144 163.2
[M-H]- 273.98494 154.5
[M+NH4]+ 293.02604 172.0
[M+K]+ 313.95538 159.7
[M+H-H2O]+ 257.98948 148.5
[M+HCOO]- 319.99042 162.5
[M+CH3COO]- 334.00607 190.3
[M+Na-2H]- 295.96689 153.8
[M]+ 274.99167 158.7
[M]- 274.99277 158.7
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