CID 3546083

5-amino-2-methyl-n-(3-methylphenyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)N)C
InChI
InChI=1S/C14H16N2O2S/c1-10-4-3-5-13(8-10)16-19(17,18)14-9-12(15)7-6-11(14)2/h3-9,16H,15H2,1-2H3
InChIKey
DOEAOOVSZCAXKG-UHFFFAOYSA-N
Compound name
5-amino-2-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]+ 277.100536 161.0
[M+Na]+ 299.082478 169.5
[M-H]- 275.085984 167.9
[M+NH4]+ 294.127083 177.1
[M+K]+ 315.056418 164.3
[M+H-H2O]+ 259.090520 153.7
[M+HCOO]- 321.091461 180.7
[M+CH3COO]- 335.107111 201.5
[M+Na-2H]- 297.067926 164.8
[M]+ 276.09271142 161.9
[M]- 276.09380858 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.