CID 3040384

Jdl 146

Structural Information

Molecular Formula
C13H12ClN3O3S
SMILES
CC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H12ClN3O3S/c1-9(18)17-21(19,20)13-8-15-6-5-12(13)16-11-4-2-3-10(14)7-11/h2-8H,1H3,(H,15,16)(H,17,18)
InChIKey
ZSISDEBJHKRFLT-UHFFFAOYSA-N
Compound name
N-[4-(3-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 169.2
[M+Na]+ 348.01800 177.6
[M-H]- 324.02150 175.2
[M+NH4]+ 343.06260 182.6
[M+K]+ 363.99194 171.9
[M+H-H2O]+ 308.02604 161.9
[M+HCOO]- 370.02698 183.5
[M+CH3COO]- 384.04263 205.8
[M+Na-2H]- 346.00345 174.1
[M]+ 325.02823 172.9
[M]- 325.02933 172.9
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.