CID 287313

13570-31-5

Structural Information

Molecular Formula
C7H5N3OS
SMILES
C1=CN=CC=C1C2=NNC(=O)S2
InChI
InChI=1S/C7H5N3OS/c11-7-10-9-6(12-7)5-1-3-8-4-2-5/h1-4H,(H,10,11)
InChIKey
TWXRWGQYDRFWMF-UHFFFAOYSA-N
Compound name
5-pyridin-4-yl-3H-1,3,4-thiadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.01534 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02262 134.2
[M+Na]+ 202.00456 147.7
[M+NH4]+ 197.04916 142.2
[M+K]+ 217.97850 141.4
[M-H]- 178.00806 136.0
[M+Na-2H]- 199.99001 141.9
[M]+ 179.01479 136.9
[M]- 179.01589 136.9
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

No patent data available for this compound.