CID 54687931

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

Structural Information

Molecular Formula
C30H30O3
SMILES
C1CC1C(C2=CC=CC=C2)C3=C(C(OC3=O)(CCCC4=CC=CC=C4)CC5=CC=CC=C5)O
InChI
InChI=1S/C30H30O3/c31-28-27(26(25-18-19-25)24-16-8-3-9-17-24)29(32)33-30(28,21-23-13-6-2-7-14-23)20-10-15-22-11-4-1-5-12-22/h1-9,11-14,16-17,25-26,31H,10,15,18-21H2
InChIKey
GHTQBMXVTYONMF-UHFFFAOYSA-N
Compound name
5-benzyl-3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-(3-phenylpropyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.21948 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.22676 199.1
[M+Na]+ 461.20870 204.9
[M-H]- 437.21220 213.4
[M+NH4]+ 456.25330 204.7
[M+K]+ 477.18264 200.6
[M+H-H2O]+ 421.21674 190.2
[M+HCOO]- 483.21768 217.7
[M+CH3COO]- 497.23333 207.8
[M+Na-2H]- 459.19415 198.6
[M]+ 438.21893 201.9
[M]- 438.22003 201.9
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.