CID 3034329

21322-39-4

Structural Information

Molecular Formula
C34H32N6O4
SMILES
C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CNCCNCN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C34H32N6O4/c41-29-33(25-13-5-1-6-14-25,26-15-7-2-8-16-26)37-31(43)39(29)23-35-21-22-36-24-40-30(42)34(38-32(40)44,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,35-36H,21-24H2,(H,37,43)(H,38,44)
InChIKey
RFQBIWOEAPJXDK-UHFFFAOYSA-N
Compound name
3-[[2-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methylamino]ethylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.2485 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.25578 232.4
[M+Na]+ 611.23772 235.3
[M-H]- 587.24122 243.5
[M+NH4]+ 606.28232 233.5
[M+K]+ 627.21166 226.6
[M+H-H2O]+ 571.24576 217.8
[M+HCOO]- 633.24670 245.7
[M+CH3COO]- 647.26235 236.1
[M+Na-2H]- 609.22317 229.9
[M]+ 588.24795 227.0
[M]- 588.24905 227.0
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.