CID 213598

26786-96-9

Structural Information

Molecular Formula
C38H38N6O4
SMILES
CC1CN(C(CN1CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4)C)CN5C(=O)C(NC5=O)(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C38H38N6O4/c1-27-23-42(26-44-34(46)38(40-36(44)48,31-19-11-5-12-20-31)32-21-13-6-14-22-32)28(2)24-41(27)25-43-33(45)37(39-35(43)47,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h3-22,27-28H,23-26H2,1-2H3,(H,39,47)(H,40,48)
InChIKey
KOJZTPZJOWDCLC-UHFFFAOYSA-N
Compound name
3-[[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-2,5-dimethylpiperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

642.2955 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.30278 252.1
[M+Na]+ 665.28472 265.9
[M+NH4]+ 660.32932 257.0
[M+K]+ 681.25866 258.5
[M-H]- 641.28822 260.1
[M+Na-2H]- 663.27017 262.5
[M]+ 642.29495 256.3
[M]- 642.29605 256.3
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.