CID 3777319

3-amino-4-methyl-n-(3-methylphenyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)N
InChI
InChI=1S/C14H16N2O2S/c1-10-4-3-5-12(8-10)16-19(17,18)13-7-6-11(2)14(15)9-13/h3-9,16H,15H2,1-2H3
InChIKey
GUTAXOCKIUEWFM-UHFFFAOYSA-N
Compound name
3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.09326 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10054 161.0
[M+Na]+ 299.08248 169.5
[M-H]- 275.08598 167.9
[M+NH4]+ 294.12708 177.1
[M+K]+ 315.05642 164.3
[M+H-H2O]+ 259.09052 153.7
[M+HCOO]- 321.09146 180.7
[M+CH3COO]- 335.10711 201.5
[M+Na-2H]- 297.06793 164.8
[M]+ 276.09271 161.9
[M]- 276.09381 161.9
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.