CID 10467945

6-methyl-4-oxo-5,6-dihydro-4h-thieno[2,3-b]thiopyran-2-sulfonamide

Structural Information

Molecular Formula
C8H9NO3S3
SMILES
CC1CC(=O)C2=C(S1)SC(=C2)S(=O)(=O)N
InChI
InChI=1S/C8H9NO3S3/c1-4-2-6(10)5-3-7(15(9,11)12)14-8(5)13-4/h3-4H,2H2,1H3,(H2,9,11,12)
InChIKey
QMNAQPMXDMLOLD-UHFFFAOYSA-N
Compound name
6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1311
Patents

262.97446 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.981736 154.7
[M+Na]+ 285.963678 164.0
[M-H]- 261.967184 157.5
[M+NH4]+ 281.008283 173.9
[M+K]+ 301.937618 157.8
[M+H-H2O]+ 245.971720 150.7
[M+HCOO]- 307.972661 160.2
[M+CH3COO]- 321.988311 192.4
[M+Na-2H]- 283.949126 155.8
[M]+ 262.97391142 155.2
[M]- 262.97500858 155.2
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