CID 210585

Dtxsid40943846

Structural Information

Molecular Formula
C48H44N6O4
SMILES
C1=CC=C(C=C1)CNC(CCC(NCC2=CC=CC=C2)N3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=CC=C5)N6C(=O)C(NC6=O)(C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C48H44N6O4/c55-43-47(37-23-11-3-12-24-37,38-25-13-4-14-26-38)51-45(57)53(43)41(49-33-35-19-7-1-8-20-35)31-32-42(50-34-36-21-9-2-10-22-36)54-44(56)48(52-46(54)58,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,41-42,49-50H,31-34H2,(H,51,57)(H,52,58)
InChIKey
LNSQABMZMUSPAV-UHFFFAOYSA-N
Compound name
3-[1,4-bis(benzylamino)-4-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)butyl]-5,5-diphenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

768.3424 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 769.349676 261.0
[M+Na]+ 791.331618 258.3
[M-H]- 767.335124 275.5
[M+NH4]+ 786.376223 253.0
[M+K]+ 807.305558 250.2
[M+H-H2O]+ 751.339660 243.2
[M+HCOO]- 813.340601 269.1
[M+CH3COO]- 827.356251 260.4
[M+Na-2H]- 789.317066 255.3
[M]+ 768.34185142 253.1
[M]- 768.34294858 253.1
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.