CID 5274897

N-(3-chlorophenyl)-3-sulfanyl-pyridine-2-carboxamide

Structural Information

Molecular Formula
C12H9ClN2OS
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)C2=C(C=CC=N2)S
InChI
InChI=1S/C12H9ClN2OS/c13-8-3-1-4-9(7-8)15-12(16)11-10(17)5-2-6-14-11/h1-7,17H,(H,15,16)
InChIKey
GELPEWMHEDTKET-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-3-sulfanylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.01242 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.01970 153.7
[M+Na]+ 287.00164 163.2
[M-H]- 263.00514 159.7
[M+NH4]+ 282.04624 170.3
[M+K]+ 302.97558 157.3
[M+H-H2O]+ 247.00968 146.9
[M+HCOO]- 309.01062 168.2
[M+CH3COO]- 323.02627 166.1
[M+Na-2H]- 284.98709 157.4
[M]+ 264.01187 157.0
[M]- 264.01297 157.0
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.