CID 3040395

Jdl 255

Structural Information

Molecular Formula
C13H11Cl2N3O3S
SMILES
CC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C13H11Cl2N3O3S/c1-8(19)18-22(20,21)12-7-16-6-5-10(12)17-11-4-2-3-9(14)13(11)15/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKey
VOBMKFCGQITVFG-UHFFFAOYSA-N
Compound name
N-[4-(2,3-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 174.5
[M+Na]+ 381.97902 183.9
[M-H]- 357.98252 180.3
[M+NH4]+ 377.02362 187.3
[M+K]+ 397.95296 177.4
[M+H-H2O]+ 341.98706 168.3
[M+HCOO]- 403.98800 183.7
[M+CH3COO]- 418.00365 211.2
[M+Na-2H]- 379.96447 178.0
[M]+ 358.98925 179.8
[M]- 358.99035 179.8
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.