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 156.6
[M+Na]+ 296.05632 164.4
[M-H]- 272.05982 162.1
[M+NH4]+ 291.10092 173.7
[M+K]+ 312.03026 164.1
[M+H-H2O]+ 256.06436 150.0
[M+HCOO]- 318.06530 175.6
[M+CH3COO]- 332.08095 200.1
[M+Na-2H]- 294.04177 159.2
[M]+ 273.06655 164.4
[M]- 273.06765 164.4
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.