CID 43258320

6-amino-n-[(2-chlorophenyl)methyl]-2,3-dimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C15H17ClN2O2S
SMILES
CC1=C(C(=C(C=C1)N)S(=O)(=O)NCC2=CC=CC=C2Cl)C
InChI
InChI=1S/C15H17ClN2O2S/c1-10-7-8-14(17)15(11(10)2)21(19,20)18-9-12-5-3-4-6-13(12)16/h3-8,18H,9,17H2,1-2H3
InChIKey
JKAVLEIXDQYXQM-UHFFFAOYSA-N
Compound name
6-amino-N-[(2-chlorophenyl)methyl]-2,3-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.06992 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.07720 172.4
[M+Na]+ 347.05914 181.9
[M-H]- 323.06264 179.4
[M+NH4]+ 342.10374 187.7
[M+K]+ 363.03308 175.1
[M+H-H2O]+ 307.06718 166.1
[M+HCOO]- 369.06812 187.1
[M+CH3COO]- 383.08377 209.4
[M+Na-2H]- 345.04459 174.5
[M]+ 324.06937 176.2
[M]- 324.07047 176.2
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.