CID 98588

752-51-2

Structural Information

Molecular Formula
C36H34N6O4
SMILES
C1CN(CCN1CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4)CN5C(=O)C(NC5=O)(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C36H34N6O4/c43-31-35(27-13-5-1-6-14-27,28-15-7-2-8-16-28)37-33(45)41(31)25-39-21-23-40(24-22-39)26-42-32(44)36(38-34(42)46,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20H,21-26H2,(H,37,45)(H,38,46)
InChIKey
OUWOPYQUPCKENK-UHFFFAOYSA-N
Compound name
3-[[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.26416 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.27144 243.5
[M+Na]+ 637.25338 257.1
[M+NH4]+ 632.29798 248.7
[M+K]+ 653.22732 249.8
[M-H]- 613.25688 251.4
[M+Na-2H]- 635.23883 254.8
[M]+ 614.26361 247.7
[M]- 614.26471 247.7
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.