CID 5274898

2-pyridinecarboxamide, n-(3,4-dichlorophenyl)-3-mercapto-

Structural Information

Molecular Formula
C12H8Cl2N2OS
SMILES
C1=CC(=C(N=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)S
InChI
InChI=1S/C12H8Cl2N2OS/c13-8-4-3-7(6-9(8)14)16-12(17)11-10(18)2-1-5-15-11/h1-6,18H,(H,16,17)
InChIKey
FGDXGUMLCCPGFX-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-3-sulfanylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.97345 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.98073 158.7
[M+Na]+ 320.96267 169.2
[M-H]- 296.96617 164.4
[M+NH4]+ 316.00727 174.6
[M+K]+ 336.93661 162.4
[M+H-H2O]+ 280.97071 152.9
[M+HCOO]- 342.97165 168.1
[M+CH3COO]- 356.98730 170.7
[M+Na-2H]- 318.94812 161.1
[M]+ 297.97290 163.5
[M]- 297.97400 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.