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]+ 321.067026 167.6
[M+Na]+ 343.048968 174.6
[M-H]- 319.052474 173.1
[M+NH4]+ 338.093573 183.4
[M+K]+ 359.022908 172.2
[M+H-H2O]+ 303.057010 161.9
[M+HCOO]- 365.057951 181.6
[M+CH3COO]- 379.073601 210.6
[M+Na-2H]- 341.034416 168.7
[M]+ 320.05920142 175.1
[M]- 320.06029858 175.1
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.