CID 54687941

2(5h)-furanone, 3-(cyclopropylphenylmethyl)-4-hydroxy-5-(1-phenylpropyl)-

Structural Information

Molecular Formula
C23H24O3
SMILES
CCC(C1C(=C(C(=O)O1)C(C2CC2)C3=CC=CC=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C23H24O3/c1-2-18(15-9-5-3-6-10-15)22-21(24)20(23(25)26-22)19(17-13-14-17)16-11-7-4-8-12-16/h3-12,17-19,22,24H,2,13-14H2,1H3
InChIKey
GXPRVDWEAQOQIN-UHFFFAOYSA-N
Compound name
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.17255 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17983 175.0
[M+Na]+ 371.16177 181.6
[M-H]- 347.16527 187.2
[M+NH4]+ 366.20637 182.9
[M+K]+ 387.13571 177.8
[M+H-H2O]+ 331.16981 167.4
[M+HCOO]- 393.17075 194.1
[M+CH3COO]- 407.18640 185.5
[M+Na-2H]- 369.14722 174.2
[M]+ 348.17200 177.5
[M]- 348.17310 177.5
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.