CID 3040389

Jdl 168

Structural Information

Molecular Formula
C13H12ClN3O3S
SMILES
CC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H12ClN3O3S/c1-9(18)17-21(19,20)13-8-15-7-6-12(13)16-11-4-2-10(14)3-5-11/h2-8H,1H3,(H,15,16)(H,17,18)
InChIKey
VNTXVSRVNPEGBO-UHFFFAOYSA-N
Compound name
N-[4-(4-chloroanilino)pyridin-3-yl]sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.02878 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.03606 170.2
[M+Na]+ 348.01800 182.4
[M+NH4]+ 343.06260 176.7
[M+K]+ 363.99194 174.8
[M-H]- 324.02150 173.1
[M+Na-2H]- 346.00345 177.9
[M]+ 325.02823 173.4
[M]- 325.02933 173.4
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.