CID 209772

Brn 0586387

Structural Information

Molecular Formula
C28H28N2O3
SMILES
CC(C)CC1=CC=C(C=C1)C(=O)CCC2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H28N2O3/c1-20(2)19-21-13-15-22(16-14-21)26(31)18-17-25-27(32)29(23-9-5-3-6-10-23)30(28(25)33)24-11-7-4-8-12-24/h3-16,20,25H,17-19H2,1-2H3
InChIKey
ROXDYSBSVYGMEK-UHFFFAOYSA-N
Compound name
4-[3-[4-(2-methylpropyl)phenyl]-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.21 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.21728 210.1
[M+Na]+ 463.19922 224.4
[M+NH4]+ 458.24382 215.8
[M+K]+ 479.17316 217.9
[M-H]- 439.20272 216.2
[M+Na-2H]- 461.18467 218.4
[M]+ 440.20945 213.8
[M]- 440.21055 213.8
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.