CID 54687922

5,5-dibenzyl-3-[cyclopropyl(phenyl)methyl]-4-hydroxy-furan-2-one

Structural Information

Molecular Formula
C28H26O3
SMILES
C1CC1C(C2=CC=CC=C2)C3=C(C(OC3=O)(CC4=CC=CC=C4)CC5=CC=CC=C5)O
InChI
InChI=1S/C28H26O3/c29-26-25(24(23-16-17-23)22-14-8-3-9-15-22)27(30)31-28(26,18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21/h1-15,23-24,29H,16-19H2
InChIKey
XGFVZCBXSYYOKK-UHFFFAOYSA-N
Compound name
5,5-dibenzyl-3-[cyclopropyl(phenyl)methyl]-4-hydroxyfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1882 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19548 191.1
[M+Na]+ 433.17742 197.8
[M-H]- 409.18092 205.9
[M+NH4]+ 428.22202 197.8
[M+K]+ 449.15136 193.9
[M+H-H2O]+ 393.18546 182.6
[M+HCOO]- 455.18640 210.4
[M+CH3COO]- 469.20205 200.7
[M+Na-2H]- 431.16287 191.6
[M]+ 410.18765 193.3
[M]- 410.18875 193.3
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.