CID 21149638

85204-12-2

Structural Information

Molecular Formula
C17H20N2O3S
SMILES
CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C)C
InChI
InChI=1S/C17H20N2O3S/c1-4-19(16-8-6-5-7-9-16)23(21,22)17-12-15(18-14(3)20)11-10-13(17)2/h5-12H,4H2,1-3H3,(H,18,20)
InChIKey
GICLFFSOFUPDAL-UHFFFAOYSA-N
Compound name
N-[3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.11948 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.126756 176.5
[M+Na]+ 355.108698 182.6
[M-H]- 331.112204 184.6
[M+NH4]+ 350.153303 190.6
[M+K]+ 371.082638 179.3
[M+H-H2O]+ 315.116740 168.2
[M+HCOO]- 377.117681 195.6
[M+CH3COO]- 391.133331 214.7
[M+Na-2H]- 353.094146 179.0
[M]+ 332.11893142 180.3
[M]- 332.12002858 180.3
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

No patent data available for this compound.