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
1
Annotation Hits

0
References

1175
Patents

262.97446 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.98174 154.7
[M+Na]+ 285.96368 164.0
[M-H]- 261.96718 157.5
[M+NH4]+ 281.00828 173.9
[M+K]+ 301.93762 157.8
[M+H-H2O]+ 245.97172 150.7
[M+HCOO]- 307.97266 160.2
[M+CH3COO]- 321.98831 192.4
[M+Na-2H]- 283.94913 155.8
[M]+ 262.97391 155.2
[M]- 262.97501 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