CID 152126

1-acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione

Structural Information

Molecular Formula
C10H9N3O3
SMILES
CC(=O)N1C(=O)N(C(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C10H9N3O3/c1-7(14)13-10(16)12(9(15)11-13)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,15)
InChIKey
GMFZGVRQOGGCSY-UHFFFAOYSA-N
Compound name
1-acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

219.06439 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07167 144.0
[M+Na]+ 242.05361 155.0
[M-H]- 218.05711 146.7
[M+NH4]+ 237.09821 159.6
[M+K]+ 258.02755 151.2
[M+H-H2O]+ 202.06165 135.9
[M+HCOO]- 264.06259 165.2
[M+CH3COO]- 278.07824 183.2
[M+Na-2H]- 240.03906 147.7
[M]+ 219.06384 144.7
[M]- 219.06494 144.7
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.