CID 121411

2h-1-benzothiopyran-7-sulfonamide, 2-ethyl-3,4-dihydro-6-methyl-,1,1-dioxide

Structural Information

Molecular Formula
C12H17NO4S2
SMILES
CCC1CCC2=C(S1(=O)=O)C=C(C(=C2)C)S(=O)(=O)N
InChI
InChI=1S/C12H17NO4S2/c1-3-10-5-4-9-6-8(2)11(19(13,16)17)7-12(9)18(10,14)15/h6-7,10H,3-5H2,1-2H3,(H2,13,16,17)
InChIKey
UWACTLZRFVZIPC-UHFFFAOYSA-N
Compound name
2-ethyl-6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0599 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06718 161.2
[M+Na]+ 326.04912 170.1
[M-H]- 302.05262 164.4
[M+NH4]+ 321.09372 179.4
[M+K]+ 342.02306 165.0
[M+H-H2O]+ 286.05716 156.5
[M+HCOO]- 348.05810 170.7
[M+CH3COO]- 362.07375 201.1
[M+Na-2H]- 324.03457 165.1
[M]+ 303.05935 164.0
[M]- 303.06045 164.0
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

No patent data available for this compound.