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 167.6
[M+Na]+ 343.04897 174.6
[M-H]- 319.05247 173.1
[M+NH4]+ 338.09357 183.4
[M+K]+ 359.02291 172.2
[M+H-H2O]+ 303.05701 161.9
[M+HCOO]- 365.05795 181.6
[M+CH3COO]- 379.07360 210.6
[M+Na-2H]- 341.03442 168.7
[M]+ 320.05920 175.1
[M]- 320.06030 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.