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]+ 643.302776 252.3
[M+Na]+ 665.284718 255.6
[M-H]- 641.288224 263.3
[M+NH4]+ 660.329323 248.8
[M+K]+ 681.258658 245.8
[M+H-H2O]+ 625.292760 235.0
[M+HCOO]- 687.293701 255.9
[M+CH3COO]- 701.309351 253.5
[M+Na-2H]- 663.270166 241.4
[M]+ 642.29495142 244.3
[M]- 642.29604858 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.