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 137.5
[M+Na]+ 216.03796 148.4
[M-H]- 192.04146 137.6
[M+NH4]+ 211.08256 152.8
[M+K]+ 232.01190 143.4
[M+H-H2O]+ 176.04600 130.0
[M+HCOO]- 238.04694 157.0
[M+CH3COO]- 252.06259 173.0
[M+Na-2H]- 214.02341 142.3
[M]+ 193.04819 135.2
[M]- 193.04929 135.2
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