CID 20270686

2,4,6-triethylbenzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₂H₁₉NO₂S

SMILES

CCC1=CC(=C(C(=C1)CC)S(=O)(=O)N)CC

InChI

InChI=1S/C12H19NO2S/c1-4-9-7-10(5-2)12(16(13,14)15)11(6-3)8-9/h7-8H,4-6H2,1-3H3,(H2,13,14,15)

InChIKey

ZSXPCHZVLVJYPC-UHFFFAOYSA-N

Compound name

2,4,6-triethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 241.11365 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	242.120926	153.2
[M+Na]+	264.102868	161.9
[M-H]-	240.106374	156.9
[M+NH4]+	259.147473	171.5
[M+K]+	280.076808	157.9
[M+H-H2O]+	224.110910	147.3
[M+HCOO]-	286.111851	170.9
[M+CH3COO]-	300.127501	194.7
[M+Na-2H]-	262.088316	154.6
[M]+	241.11310142	156.6
[M]-	241.11419858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe