CID 3061267

4-(2-cyclopropylethyl)-1,2-diphenyl-3,5-pyrazolidinedione

Structural Information

Molecular Formula
C20H20N2O2
SMILES
C1CC1CCC2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H20N2O2/c23-19-18(14-13-15-11-12-15)20(24)22(17-9-5-2-6-10-17)21(19)16-7-3-1-4-8-16/h1-10,15,18H,11-14H2
InChIKey
XNOZBQYFHYVMGI-UHFFFAOYSA-N
Compound name
4-(2-cyclopropylethyl)-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.15247 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 178.3
[M+Na]+ 343.14169 187.3
[M-H]- 319.14519 188.5
[M+NH4]+ 338.18629 186.6
[M+K]+ 359.11563 180.6
[M+H-H2O]+ 303.14973 168.5
[M+HCOO]- 365.15067 198.5
[M+CH3COO]- 379.16632 188.6
[M+Na-2H]- 341.12714 177.9
[M]+ 320.15192 179.5
[M]- 320.15302 179.5
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.