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 252.3
[M+Na]+ 665.28472 255.6
[M-H]- 641.28822 263.3
[M+NH4]+ 660.32932 248.8
[M+K]+ 681.25866 245.8
[M+H-H2O]+ 625.29276 235.0
[M+HCOO]- 687.29370 255.9
[M+CH3COO]- 701.30935 253.5
[M+Na-2H]- 663.27017 241.4
[M]+ 642.29495 244.3
[M]- 642.29605 244.3
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.