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

literature stripe

Patent stripe

patents stripe