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

1
Patents

280.1212 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12848 164.8
[M+Na]+ 303.11042 173.4
[M-H]- 279.11392 172.3
[M+NH4]+ 298.15502 179.7
[M+K]+ 319.08436 168.2
[M+H-H2O]+ 263.11846 155.3
[M+HCOO]- 325.11940 185.5
[M+CH3COO]- 339.13505 176.6
[M+Na-2H]- 301.09587 165.9
[M]+ 280.12065 164.2
[M]- 280.12175 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