CID 4165

Meticrane

Structural Information

Molecular Formula
C10H13NO4S2
SMILES
CC1=CC2=C(C=C1S(=O)(=O)N)S(=O)(=O)CCC2
InChI
InChI=1S/C10H13NO4S2/c1-7-5-8-3-2-4-16(12,13)10(8)6-9(7)17(11,14)15/h5-6H,2-4H2,1H3,(H2,11,14,15)
InChIKey
FNQQBFNIYODEMB-UHFFFAOYSA-N
Compound name
6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

21
References

3091
Patents

275.0286 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.03588 156.1
[M+Na]+ 298.01782 165.7
[M+NH4]+ 293.06242 164.7
[M+K]+ 313.99176 156.1
[M-H]- 274.02132 156.7
[M+Na-2H]- 296.00327 161.0
[M]+ 275.02805 158.6
[M]- 275.02915 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe