CID 43415450

2-chloro-n-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide

Structural Information

Molecular Formula
C12H17ClN2O4S
SMILES
CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N(C)C)OC)Cl
InChI
InChI=1S/C12H17ClN2O4S/c1-8(13)12(16)14-10-7-9(5-6-11(10)19-4)20(17,18)15(2)3/h5-8H,1-4H3,(H,14,16)
InChIKey
NAORTZUFSKBTGE-UHFFFAOYSA-N
Compound name
2-chloro-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.05975 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06703 170.4
[M+Na]+ 343.04897 179.3
[M+NH4]+ 338.09357 176.1
[M+K]+ 359.02291 174.1
[M-H]- 319.05247 170.7
[M+Na-2H]- 341.03442 174.0
[M]+ 320.05920 172.2
[M]- 320.06030 172.2
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.