CID 13775559

4-(4-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione

Structural Information

Molecular Formula
C8H7N3O3
SMILES
C1=CC(=CC=C1N2C(=O)NNC2=O)O
InChI
InChI=1S/C8H7N3O3/c12-6-3-1-5(2-4-6)11-7(13)9-10-8(11)14/h1-4,12H,(H,9,13)(H,10,14)
InChIKey
BHJDBILLLRDWSS-UHFFFAOYSA-N
Compound name
4-(4-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

193.04874 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05602 138.9
[M+Na]+ 216.03796 151.4
[M+NH4]+ 211.08256 144.3
[M+K]+ 232.01190 149.1
[M-H]- 192.04146 138.3
[M+Na-2H]- 214.02341 144.6
[M]+ 193.04819 140.1
[M]- 193.04929 140.1
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