CID 14392086

120279-26-7

Structural Information

Molecular Formula
C8H11NO5S3
SMILES
CC1CC(C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N)O
InChI
InChI=1S/C8H11NO5S3/c1-4-2-6(10)5-3-7(17(9,13)14)15-8(5)16(4,11)12/h3-4,6,10H,2H2,1H3,(H2,9,13,14)
InChIKey
ZXSUWHJGLUHKPC-UHFFFAOYSA-N
Compound name
4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

296.97995 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.98723 159.2
[M+Na]+ 319.96917 168.4
[M-H]- 295.97267 160.3
[M+NH4]+ 315.01377 178.0
[M+K]+ 335.94311 162.2
[M+H-H2O]+ 279.97721 156.6
[M+HCOO]- 341.97815 163.5
[M+CH3COO]- 355.99380 194.6
[M+Na-2H]- 317.95462 162.8
[M]+ 296.97940 160.8
[M]- 296.98050 160.8
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