CID 3700150

2,4,6-trimethyl-n-(4-methylphenyl)benzenesulfonamide

Structural Information

Molecular Formula
C16H19NO2S
SMILES
CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)17-20(18,19)16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3
InChIKey
FRAXBCRCAPONMB-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-N-(4-methylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

289.11365 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12093 167.4
[M+Na]+ 312.10287 181.3
[M+NH4]+ 307.14747 175.6
[M+K]+ 328.07681 172.2
[M-H]- 288.10637 171.9
[M+Na-2H]- 310.08832 175.4
[M]+ 289.11310 171.3
[M]- 289.11420 171.3
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