CID 86812176

4-(pyridin-4-yl)-1,2,4-triazolidine-3,5-dione

Structural Information

Molecular Formula
C7H6N4O2
SMILES
C1=CN=CC=C1N2C(=O)NNC2=O
InChI
InChI=1S/C7H6N4O2/c12-6-9-10-7(13)11(6)5-1-3-8-4-2-5/h1-4H,(H,9,12)(H,10,13)
InChIKey
GLLPTOIEZFIHHC-UHFFFAOYSA-N
Compound name
4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

178.04907 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.056346 134.3
[M+Na]+ 201.038288 145.4
[M-H]- 177.041794 134.1
[M+NH4]+ 196.082893 149.3
[M+K]+ 217.012228 140.6
[M+H-H2O]+ 161.046330 125.8
[M+HCOO]- 223.047271 154.1
[M+CH3COO]- 237.062921 146.9
[M+Na-2H]- 199.023736 140.7
[M]+ 178.04852142 132.2
[M]- 178.04961858 132.2
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