CID 3040393

Jdl 197

Structural Information

Molecular Formula
C13H11Cl2N3O3S
SMILES
CC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H11Cl2N3O3S/c1-8(19)18-22(20,21)13-7-16-5-4-12(13)17-9-2-3-10(14)11(15)6-9/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKey
APNNSZPSMMPVEP-UHFFFAOYSA-N
Compound name
N-[4-(3,4-dichloroanilino)pyridin-3-yl]sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.9898 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.99708 178.1
[M+Na]+ 381.97902 191.0
[M+NH4]+ 377.02362 184.6
[M+K]+ 397.95296 182.8
[M-H]- 357.98252 180.8
[M+Na-2H]- 379.96447 185.2
[M]+ 358.98925 181.6
[M]- 358.99035 181.6
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.