CID 202695

Brn 0586382

Structural Information

Molecular Formula
C27H24N2O3
SMILES
C1CC2=C(C1)C=C(C=C2)C(=O)CCC3C(=O)N(N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H24N2O3/c30-25(21-15-14-19-8-7-9-20(19)18-21)17-16-24-26(31)28(22-10-3-1-4-11-22)29(27(24)32)23-12-5-2-6-13-23/h1-6,10-15,18,24H,7-9,16-17H2
InChIKey
COHUVURXZRTNJX-UHFFFAOYSA-N
Compound name
4-[3-(2,3-dihydro-1H-inden-5-yl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.17868 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.18596 204.3
[M+Na]+ 447.16790 209.9
[M-H]- 423.17140 215.2
[M+NH4]+ 442.21250 214.8
[M+K]+ 463.14184 203.0
[M+H-H2O]+ 407.17594 193.4
[M+HCOO]- 469.17688 220.9
[M+CH3COO]- 483.19253 212.7
[M+Na-2H]- 445.15335 199.1
[M]+ 424.17813 202.8
[M]- 424.17923 202.8
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

patents stripe