CID 3072130

140947-38-2

Structural Information

Molecular Formula
C13H13NO4S2
SMILES
CN(C1=CC=CC=C1)S(=O)(=O)C2=C(SC=C2)C(=O)OC
InChI
InChI=1S/C13H13NO4S2/c1-14(10-6-4-3-5-7-10)20(16,17)11-8-9-19-12(11)13(15)18-2/h3-9H,1-2H3
InChIKey
JQDASXSFEYTFLI-UHFFFAOYSA-N
Compound name
methyl 3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.0286 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.03588 168.3
[M+Na]+ 334.01782 177.6
[M+NH4]+ 329.06242 175.4
[M+K]+ 349.99176 171.4
[M-H]- 310.02132 170.6
[M+Na-2H]- 332.00327 173.9
[M]+ 311.02805 171.0
[M]- 311.02915 171.0
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.