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]+ 291.11618 165.4
[M+Na]+ 313.09812 174.3
[M-H]- 289.10162 172.5
[M+NH4]+ 308.14272 181.1
[M+K]+ 329.07206 169.0
[M+H-H2O]+ 273.10616 158.1
[M+HCOO]- 335.10710 184.6
[M+CH3COO]- 349.12275 205.8
[M+Na-2H]- 311.08357 168.0
[M]+ 290.10835 167.0
[M]- 290.10945 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.