CID 5161703

2,6-pyridinedithiocarboxamide

Structural Information

Molecular Formula

C₇H₇N₃S₂

SMILES

C1=CC(=NC(=C1)C(=S)N)C(=S)N

InChI

InChI=1S/C7H7N3S2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-3H,(H2,8,11)(H2,9,12)

InChIKey

GTGKXQDPPFSLQO-UHFFFAOYSA-N

Compound name

pyridine-2,6-dicarbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 197.00813 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.01541	137.3
[M+Na]+	219.99735	144.9
[M-H]-	196.00085	138.5
[M+NH4]+	215.04195	154.6
[M+K]+	235.97129	139.1
[M+H-H2O]+	180.00539	130.7
[M+HCOO]-	242.00633	148.7
[M+CH3COO]-	256.02198	186.1
[M+Na-2H]-	217.98280	137.1
[M]+	197.00758	134.0
[M]-	197.00868	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe