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]+ 304.13658 169.3
[M+Na]+ 326.11852 177.1
[M-H]- 302.12202 176.5
[M+NH4]+ 321.16312 184.9
[M+K]+ 342.09246 172.4
[M+H-H2O]+ 286.12656 162.0
[M+HCOO]- 348.12750 186.7
[M+CH3COO]- 362.14315 206.9
[M+Na-2H]- 324.10397 171.1
[M]+ 303.12875 172.5
[M]- 303.12985 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