CID 3851038

3-amino-n-(2,4-dimethylphenyl)-4-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C15H18N2O2S
SMILES
CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)N)C
InChI
InChI=1S/C15H18N2O2S/c1-10-4-7-15(12(3)8-10)17-20(18,19)13-6-5-11(2)14(16)9-13/h4-9,17H,16H2,1-3H3
InChIKey
HHUKHWAZKAVOPN-UHFFFAOYSA-N
Compound name
3-amino-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1089 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.116176 165.4
[M+Na]+ 313.098118 174.3
[M-H]- 289.101624 172.5
[M+NH4]+ 308.142723 181.1
[M+K]+ 329.072058 169.0
[M+H-H2O]+ 273.106160 158.1
[M+HCOO]- 335.107101 184.6
[M+CH3COO]- 349.122751 205.8
[M+Na-2H]- 311.083566 168.0
[M]+ 290.10835142 167.0
[M]- 290.10944858 167.0
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.