CID 54687910

2-benzyl-3-hydroxy-4-(1-phenylpropyl)-2h-furan-5-one

Structural Information

Molecular Formula
C20H20O3
SMILES
CCC(C1=CC=CC=C1)C2=C(C(OC2=O)CC3=CC=CC=C3)O
InChI
InChI=1S/C20H20O3/c1-2-16(15-11-7-4-8-12-15)18-19(21)17(23-20(18)22)13-14-9-5-3-6-10-14/h3-12,16-17,21H,2,13H2,1H3
InChIKey
WWGIBHXSJJMBAE-UHFFFAOYSA-N
Compound name
2-benzyl-3-hydroxy-4-(1-phenylpropyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.14124 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14852 173.2
[M+Na]+ 331.13046 179.7
[M-H]- 307.13396 182.4
[M+NH4]+ 326.17506 187.5
[M+K]+ 347.10440 176.0
[M+H-H2O]+ 291.13850 165.5
[M+HCOO]- 353.13944 193.7
[M+CH3COO]- 367.15509 203.3
[M+Na-2H]- 329.11591 173.8
[M]+ 308.14069 174.0
[M]- 308.14179 174.0
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.