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

6
Patents

197.00813 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.015406 137.3
[M+Na]+ 219.997348 144.9
[M-H]- 196.000854 138.5
[M+NH4]+ 215.041953 154.6
[M+K]+ 235.971288 139.1
[M+H-H2O]+ 180.005390 130.7
[M+HCOO]- 242.006331 148.7
[M+CH3COO]- 256.021981 186.1
[M+Na-2H]- 217.982796 137.1
[M]+ 197.00758142 134.0
[M]- 197.00867858 134.0
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

patents stripe