CID 209839

Brn 0583389

Structural Information

Molecular Formula
C26H24N2O3
SMILES
CCC1=CC=C(C=C1)C(=O)CCC2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H24N2O3/c1-2-19-13-15-20(16-14-19)24(29)18-17-23-25(30)27(21-9-5-3-6-10-21)28(26(23)31)22-11-7-4-8-12-22/h3-16,23H,2,17-18H2,1H3
InChIKey
BXJLBUHGMQFZOL-UHFFFAOYSA-N
Compound name
4-[3-(4-ethylphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.17868 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18596 202.5
[M+Na]+ 435.16790 217.6
[M+NH4]+ 430.21250 208.7
[M+K]+ 451.14184 210.7
[M-H]- 411.17140 208.8
[M+Na-2H]- 433.15335 211.5
[M]+ 412.17813 206.4
[M]- 412.17923 206.4
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.