CID 5161703

2,6-pyridinedicarbothioamide

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	137.8
[M+Na]+	219.99735	147.0
[M+NH4]+	215.04195	145.8
[M+K]+	235.97129	139.0
[M-H]-	196.00085	139.9
[M+Na-2H]-	217.98280	142.2
[M]+	197.00758	140.3
[M]-	197.00868	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe