CID 3040394

Jdl 198

Structural Information

Molecular Formula
C14H13Cl2N3O3S
SMILES
CCC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H13Cl2N3O3S/c1-2-14(20)19-23(21,22)13-8-17-6-5-12(13)18-9-3-4-10(15)11(16)7-9/h3-8H,2H2,1H3,(H,17,18)(H,19,20)
InChIKey
DSOKXOZXZTZELF-UHFFFAOYSA-N
Compound name
N-[4-(3,4-dichloroanilino)pyridin-3-yl]sulfonylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.00546 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.01274 182.4
[M+Na]+ 395.99468 195.1
[M+NH4]+ 391.03928 188.7
[M+K]+ 411.96862 186.6
[M-H]- 371.99818 185.1
[M+Na-2H]- 393.98013 189.3
[M]+ 373.00491 185.9
[M]- 373.00601 185.9
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.