CID 54687906

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

Structural Information

Molecular Formula
C23H24O3
SMILES
C1CC1C(C2=CC=CC=C2)C3=C(C(OC3=O)CCCC4=CC=CC=C4)O
InChI
InChI=1S/C23H24O3/c24-22-19(13-7-10-16-8-3-1-4-9-16)26-23(25)21(22)20(18-14-15-18)17-11-5-2-6-12-17/h1-6,8-9,11-12,18-20,24H,7,10,13-15H2
InChIKey
IUQCYZPESHGOSM-UHFFFAOYSA-N
Compound name
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(3-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 175.7
[M+Na]+ 371.16177 182.7
[M-H]- 347.16527 187.9
[M+NH4]+ 366.20637 183.7
[M+K]+ 387.13571 178.3
[M+H-H2O]+ 331.16981 167.9
[M+HCOO]- 393.17075 195.7
[M+CH3COO]- 407.18640 186.3
[M+Na-2H]- 369.14722 176.0
[M]+ 348.17200 178.7
[M]- 348.17310 178.7
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.