CID 3040385

Jdl 170

Structural Information

Molecular Formula
C14H14ClN3O3S
SMILES
CCC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H14ClN3O3S/c1-2-14(19)18-22(20,21)13-9-16-7-6-12(13)17-11-5-3-4-10(15)8-11/h3-9H,2H2,1H3,(H,16,17)(H,18,19)
InChIKey
QIFUVYZBUJXIDH-UHFFFAOYSA-N
Compound name
N-[4-(3-chloroanilino)pyridin-3-yl]sulfonylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.04443 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.05171 173.5
[M+Na]+ 362.03365 181.5
[M-H]- 338.03715 179.3
[M+NH4]+ 357.07825 186.3
[M+K]+ 378.00759 175.6
[M+H-H2O]+ 322.04169 166.1
[M+HCOO]- 384.04263 187.5
[M+CH3COO]- 398.05828 208.8
[M+Na-2H]- 360.01910 177.9
[M]+ 339.04388 177.6
[M]- 339.04498 177.6
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.