CID 3700148

2,4,6-trimethyl-n-(1-phenylethyl)benzenesulfonamide

Structural Information

Molecular Formula
C17H21NO2S
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(C)C2=CC=CC=C2)C
InChI
InChI=1S/C17H21NO2S/c1-12-10-13(2)17(14(3)11-12)21(19,20)18-15(4)16-8-6-5-7-9-16/h5-11,15,18H,1-4H3
InChIKey
NNZNKMDWSKHSEZ-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

303.1293 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.136576 169.3
[M+Na]+ 326.118518 177.1
[M-H]- 302.122024 176.5
[M+NH4]+ 321.163123 184.9
[M+K]+ 342.092458 172.4
[M+H-H2O]+ 286.126560 162.0
[M+HCOO]- 348.127501 186.7
[M+CH3COO]- 362.143151 206.9
[M+Na-2H]- 324.103966 171.1
[M]+ 303.12875142 172.5
[M]- 303.12984858 172.5
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