CID 52932

Brn 5065832

Structural Information

Molecular Formula
C11H15NO5S
SMILES
CN(C)S(=O)(=O)C1=C(C=C(C=C1)OC)C(=O)OC
InChI
InChI=1S/C11H15NO5S/c1-12(2)18(14,15)10-6-5-8(16-3)7-9(10)11(13)17-4/h5-7H,1-4H3
InChIKey
PIOMLKAIMMZDSS-UHFFFAOYSA-N
Compound name
methyl 2-(dimethylsulfamoyl)-5-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0671 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07438 159.1
[M+Na]+ 296.05632 168.6
[M+NH4]+ 291.10092 164.9
[M+K]+ 312.03026 163.8
[M-H]- 272.05982 159.0
[M+Na-2H]- 294.04177 163.0
[M]+ 273.06655 160.7
[M]- 273.06765 160.7
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.