CID 3000558

37545-39-4

Structural Information

Molecular Formula
C6H4N4OS
SMILES
C1=CN=C(C=N1)C2=NNC(=S)O2
InChI
InChI=1S/C6H4N4OS/c12-6-10-9-5(11-6)4-3-7-1-2-8-4/h1-3H,(H,10,12)
InChIKey
SQCVJGZVTWQPQV-UHFFFAOYSA-N
Compound name
5-pyrazin-2-yl-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

513
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

patents stripe