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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.074376	156.6
[M+Na]+	296.056318	164.4
[M-H]-	272.059824	162.1
[M+NH4]+	291.100923	173.7
[M+K]+	312.030258	164.1
[M+H-H2O]+	256.064360	150.0
[M+HCOO]-	318.065301	175.6
[M+CH3COO]-	332.080951	200.1
[M+Na-2H]-	294.041766	159.2
[M]+	273.06655142	164.4
[M]-	273.06764858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.