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]+ 321.159746 178.3
[M+Na]+ 343.141688 187.3
[M-H]- 319.145194 188.5
[M+NH4]+ 338.186293 186.6
[M+K]+ 359.115628 180.6
[M+H-H2O]+ 303.149730 168.5
[M+HCOO]- 365.150671 198.5
[M+CH3COO]- 379.166321 188.6
[M+Na-2H]- 341.127136 177.9
[M]+ 320.15192142 179.5
[M]- 320.15301858 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.