CID 3649260

N-(2,6-diethyl-phenyl)-benzenesulfonamide

Structural Information

Molecular Formula
C16H19NO2S
SMILES
CCC1=C(C(=CC=C1)CC)NS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H19NO2S/c1-3-13-9-8-10-14(4-2)16(13)17-20(18,19)15-11-6-5-7-12-15/h5-12,17H,3-4H2,1-2H3
InChIKey
VIJIPNMCOOEVFF-UHFFFAOYSA-N
Compound name
N-(2,6-diethylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.11365 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12093 166.8
[M+Na]+ 312.10287 180.0
[M+NH4]+ 307.14747 175.0
[M+K]+ 328.07681 170.5
[M-H]- 288.10637 171.2
[M+Na-2H]- 310.08832 175.3
[M]+ 289.11310 170.5
[M]- 289.11420 170.5
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