CID 18962059

90643-88-2

Structural Information

Molecular Formula

C₉H₁₃NO₃S

SMILES

CC1=CC(=CC(=C1OC)C)S(=O)(=O)N

InChI

InChI=1S/C9H13NO3S/c1-6-4-8(14(10,11)12)5-7(2)9(6)13-3/h4-5H,1-3H3,(H2,10,11,12)

InChIKey

OGEFGTMOYPDNEG-UHFFFAOYSA-N

Compound name

4-methoxy-3,5-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 215.06161 Da
Monoisotopic Mass: 1.2
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]+	216.068886	143.1
[M+Na]+	238.050828	153.0
[M-H]-	214.054334	147.4
[M+NH4]+	233.095433	162.4
[M+K]+	254.024768	150.2
[M+H-H2O]+	198.058870	137.7
[M+HCOO]-	260.059811	162.0
[M+CH3COO]-	274.075461	187.7
[M+Na-2H]-	236.036276	146.2
[M]+	215.06106142	146.9
[M]-	215.06215858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe