CID 209770

55388-44-8

Structural Information

Molecular Formula
C27H26N2O3
SMILES
CC1=CC(=C(C(=C1)C)C(=O)CCC2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C27H26N2O3/c1-18-16-19(2)25(20(3)17-18)24(30)15-14-23-26(31)28(21-10-6-4-7-11-21)29(27(23)32)22-12-8-5-9-13-22/h4-13,16-17,23H,14-15H2,1-3H3
InChIKey
BAHRUXJBXOCFNT-UHFFFAOYSA-N
Compound name
4-[3-oxo-3-(2,4,6-trimethylphenyl)propyl]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.19434 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.20162 207.1
[M+Na]+ 449.18356 222.7
[M+NH4]+ 444.22816 213.1
[M+K]+ 465.15750 215.9
[M-H]- 425.18706 213.5
[M+Na-2H]- 447.16901 215.3
[M]+ 426.19379 211.2
[M]- 426.19489 211.2
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

No patent data available for this compound.