CID 210585

3,3'-(1,4-bis(benzylamino)butane-1,4-diyl)bis(5,5-diphenylimidazolidine-2,4-dione)

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]+ 769.34968 261.0
[M+Na]+ 791.33162 258.3
[M-H]- 767.33512 275.5
[M+NH4]+ 786.37622 253.0
[M+K]+ 807.30556 250.2
[M+H-H2O]+ 751.33966 243.2
[M+HCOO]- 813.34060 269.1
[M+CH3COO]- 827.35625 260.4
[M+Na-2H]- 789.31707 255.3
[M]+ 768.34185 253.1
[M]- 768.34295 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.