CID 203642

3,5-pyrazolidinedione, 1,2-diphenyl-4-ethyl-

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O2/c1-2-15-16(20)18(13-9-5-3-6-10-13)19(17(15)21)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKey
BZURJIFHGLBOSK-UHFFFAOYSA-N
Compound name
4-ethyl-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

280.1212 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 164.8
[M+Na]+ 303.110418 173.4
[M-H]- 279.113924 172.3
[M+NH4]+ 298.155023 179.7
[M+K]+ 319.084358 168.2
[M+H-H2O]+ 263.118460 155.3
[M+HCOO]- 325.119401 185.5
[M+CH3COO]- 339.135051 176.6
[M+Na-2H]- 301.095866 165.9
[M]+ 280.12065142 164.2
[M]- 280.12174858 164.2
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