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

3237
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 153.8
[M+Na]+ 298.01782 162.9
[M-H]- 274.02132 157.2
[M+NH4]+ 293.06242 172.9
[M+K]+ 313.99176 158.2
[M+H-H2O]+ 258.02586 149.2
[M+HCOO]- 320.02680 164.1
[M+CH3COO]- 334.04245 194.0
[M+Na-2H]- 296.00327 159.1
[M]+ 275.02805 155.5
[M]- 275.02915 155.5
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