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

12
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 164.8
[M+Na]+ 312.10287 174.2
[M-H]- 288.10637 172.5
[M+NH4]+ 307.14747 181.4
[M+K]+ 328.07681 169.2
[M+H-H2O]+ 272.11091 157.8
[M+HCOO]- 334.11185 183.5
[M+CH3COO]- 348.12750 204.2
[M+Na-2H]- 310.08832 167.4
[M]+ 289.11310 168.6
[M]- 289.11420 168.6
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