CID 742447

54437-72-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

289.11365 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12093 164.7
[M+Na]+ 312.10287 173.3
[M-H]- 288.10637 173.5
[M+NH4]+ 307.14747 181.6
[M+K]+ 328.07681 169.8
[M+H-H2O]+ 272.11091 157.2
[M+HCOO]- 334.11185 183.9
[M+CH3COO]- 348.12750 206.4
[M+Na-2H]- 310.08832 167.3
[M]+ 289.11310 169.3
[M]- 289.11420 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.