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 243.2
[M+Na]+ 637.25338 245.8
[M-H]- 613.25688 253.8
[M+NH4]+ 632.29798 240.3
[M+K]+ 653.22732 236.3
[M+H-H2O]+ 597.26142 225.6
[M+HCOO]- 659.26236 247.7
[M+CH3COO]- 673.27801 244.7
[M+Na-2H]- 635.23883 234.6
[M]+ 614.26361 233.8
[M]- 614.26471 233.8
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

No patent data available for this compound.