CID 209768

Brn 0584804

Structural Information

Molecular Formula
C26H24N2O3
SMILES
CC1=CC(=C(C=C1)C)C(=O)CCC2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H24N2O3/c1-18-13-14-19(2)23(17-18)24(29)16-15-22-25(30)27(20-9-5-3-6-10-20)28(26(22)31)21-11-7-4-8-12-21/h3-14,17,22H,15-16H2,1-2H3
InChIKey
MDBQVBUWGRIYOE-UHFFFAOYSA-N
Compound name
4-[3-(2,5-dimethylphenyl)-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

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18596 201.8
[M+Na]+ 435.16790 208.9
[M-H]- 411.17140 212.1
[M+NH4]+ 430.21250 210.6
[M+K]+ 451.14184 202.1
[M+H-H2O]+ 395.17594 190.2
[M+HCOO]- 457.17688 219.7
[M+CH3COO]- 471.19253 227.4
[M+Na-2H]- 433.15335 197.8
[M]+ 412.17813 202.3
[M]- 412.17923 202.3
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.