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

7
Patents

178.04907 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05635 134.3
[M+Na]+ 201.03829 145.4
[M-H]- 177.04179 134.1
[M+NH4]+ 196.08289 149.3
[M+K]+ 217.01223 140.6
[M+H-H2O]+ 161.04633 125.8
[M+HCOO]- 223.04727 154.1
[M+CH3COO]- 237.06292 146.9
[M+Na-2H]- 199.02374 140.7
[M]+ 178.04852 132.2
[M]- 178.04962 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