CID 788024

4-amino-n-(3,4-dimethylphenyl)benzenesulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
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 162.1
[M+Na]+ 299.08248 174.4
[M+NH4]+ 294.12708 169.9
[M+K]+ 315.05642 166.3
[M-H]- 275.08598 166.7
[M+Na-2H]- 297.06793 170.1
[M]+ 276.09271 165.6
[M]- 276.09381 165.6
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

patents stripe