CID 3766455

2-chloro-n-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide

Structural Information

Molecular Formula
C14H21ClN2O3S
SMILES
CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)Cl)C
InChI
InChI=1S/C14H21ClN2O3S/c1-5-17(6-2)21(19,20)13-9-12(8-7-10(13)3)16-14(18)11(4)15/h7-9,11H,5-6H2,1-4H3,(H,16,18)
InChIKey
MAQHTOOGZOBAGB-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.09613 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10341 173.9
[M+Na]+ 355.08535 180.3
[M-H]- 331.08885 179.0
[M+NH4]+ 350.12995 189.4
[M+K]+ 371.05929 176.8
[M+H-H2O]+ 315.09339 168.0
[M+HCOO]- 377.09433 187.0
[M+CH3COO]- 391.10998 214.4
[M+Na-2H]- 353.07080 173.8
[M]+ 332.09558 180.7
[M]- 332.09668 180.7
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.