CID 54691190

5h-furanone, 5-benzyl-3-cyclopropylphenylmethyl-4-hydroxy-

Structural Information

Molecular Formula
C21H20O3
SMILES
C1CC1C(C2=CC=CC=C2)C3=C(C(OC3=O)CC4=CC=CC=C4)O
InChI
InChI=1S/C21H20O3/c22-20-17(13-14-7-3-1-4-8-14)24-21(23)19(20)18(16-11-12-16)15-9-5-2-6-10-15/h1-10,16-18,22H,11-13H2
InChIKey
DXBWVKUIYXXAQQ-UHFFFAOYSA-N
Compound name
2-benzyl-4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.14124 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14852 167.3
[M+Na]+ 343.13046 175.2
[M-H]- 319.13396 179.8
[M+NH4]+ 338.17506 176.4
[M+K]+ 359.10440 171.2
[M+H-H2O]+ 303.13850 159.9
[M+HCOO]- 365.13944 188.0
[M+CH3COO]- 379.15509 178.7
[M+Na-2H]- 341.11591 168.6
[M]+ 320.14069 169.7
[M]- 320.14179 169.7
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.