CID 731535

N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C17H21NO2S
SMILES
CCC1=C(C(=CC=C1)CC)NS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C17H21NO2S/c1-4-14-7-6-8-15(5-2)17(14)18-21(19,20)16-11-9-13(3)10-12-16/h6-12,18H,4-5H2,1-3H3
InChIKey
CAXHZJKUHBMSPS-UHFFFAOYSA-N
Compound name
N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

303.1293 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.136576 169.8
[M+Na]+ 326.118518 177.9
[M-H]- 302.122024 176.9
[M+NH4]+ 321.163123 185.4
[M+K]+ 342.092458 172.6
[M+H-H2O]+ 286.126560 162.3
[M+HCOO]- 348.127501 188.2
[M+CH3COO]- 362.143151 206.0
[M+Na-2H]- 324.103966 172.5
[M]+ 303.12875142 173.5
[M]- 303.12984858 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe