CID 215074

Ur 100

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CCN1C(=O)NN(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C10H11N3O2/c1-2-12-9(14)11-13(10(12)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,14)
InChIKey
FMAWBQSUVRUERV-UHFFFAOYSA-N
Compound name
4-ethyl-1-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08513 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 143.5
[M+Na]+ 228.07435 157.2
[M+NH4]+ 223.11895 149.9
[M+K]+ 244.04829 153.3
[M-H]- 204.07785 144.4
[M+Na-2H]- 226.05980 150.4
[M]+ 205.08458 145.5
[M]- 205.08568 145.5
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.