CID 474117

1,3,4,6-tetrabenzylfuro[3,4-d]imidazol-2-one

Structural Information

Molecular Formula
C33H28N2O2
SMILES
C1=CC=C(C=C1)CC2=C3C(=C(O2)CC4=CC=CC=C4)N(C(=O)N3CC5=CC=CC=C5)CC6=CC=CC=C6
InChI
InChI=1S/C33H28N2O2/c36-33-34(23-27-17-9-3-10-18-27)31-29(21-25-13-5-1-6-14-25)37-30(22-26-15-7-2-8-16-26)32(31)35(33)24-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKey
WZFXPWBIZVVFKF-UHFFFAOYSA-N
Compound name
1,3,4,6-tetrabenzylfuro[3,4-d]imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

484.2151 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.22238 221.5
[M+Na]+ 507.20432 229.8
[M-H]- 483.20782 236.5
[M+NH4]+ 502.24892 228.2
[M+K]+ 523.17826 221.6
[M+H-H2O]+ 467.21236 209.0
[M+HCOO]- 529.21330 241.7
[M+CH3COO]- 543.22895 230.1
[M+Na-2H]- 505.18977 219.5
[M]+ 484.21455 225.4
[M]- 484.21565 225.4
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

patents stripe