CID 3000453

1,2,4-oxadiazole-5(2h)-thione, 3-pyrazinyl-

Structural Information

Molecular Formula
C6H4N4OS
SMILES
C1=CN=C(C=N1)C2=NC(=S)ON2
InChI
InChI=1S/C6H4N4OS/c12-6-9-5(10-11-6)4-3-7-1-2-8-4/h1-3H,(H,9,10,12)
InChIKey
RMIPQHUGPXYCNJ-UHFFFAOYSA-N
Compound name
3-pyrazin-2-yl-2H-1,2,4-oxadiazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

180.01057 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.01785 132.7
[M+Na]+ 202.99979 144.8
[M-H]- 179.00329 134.8
[M+NH4]+ 198.04439 148.0
[M+K]+ 218.97373 141.4
[M+H-H2O]+ 163.00783 125.1
[M+HCOO]- 225.00877 148.6
[M+CH3COO]- 239.02442 146.1
[M+Na-2H]- 200.98524 137.8
[M]+ 180.01002 133.9
[M]- 180.01112 133.9
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.