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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12093 153.2
[M+Na]+ 264.10287 161.9
[M-H]- 240.10637 156.9
[M+NH4]+ 259.14747 171.5
[M+K]+ 280.07681 157.9
[M+H-H2O]+ 224.11091 147.3
[M+HCOO]- 286.11185 170.9
[M+CH3COO]- 300.12750 194.7
[M+Na-2H]- 262.08832 154.6
[M]+ 241.11310 156.6
[M]- 241.11420 156.6
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