CID 774383

15264-63-8

Structural Information

Molecular Formula
C7H5N3OS
SMILES
C1=CN=CC=C1C2=NNC(=S)O2
InChI
InChI=1S/C7H5N3OS/c12-7-10-9-6(11-7)5-1-3-8-4-2-5/h1-4H,(H,10,12)
InChIKey
TXCXZVFDWQYTIC-UHFFFAOYSA-N
Compound name
5-pyridin-4-yl-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

208
Patents

179.01534 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02262 133.9
[M+Na]+ 202.00456 147.9
[M+NH4]+ 197.04916 141.9
[M+K]+ 217.97850 142.0
[M-H]- 178.00806 137.1
[M+Na-2H]- 199.99001 141.1
[M]+ 179.01479 137.2
[M]- 179.01589 137.2
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