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 165.7
[M+Na]+ 312.10287 173.4
[M-H]- 288.10637 172.6
[M+NH4]+ 307.14747 181.7
[M+K]+ 328.07681 168.3
[M+H-H2O]+ 272.11091 158.2
[M+HCOO]- 334.11185 184.5
[M+CH3COO]- 348.12750 201.8
[M+Na-2H]- 310.08832 169.6
[M]+ 289.11310 168.7
[M]- 289.11420 168.7
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