CID 54687909

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

Structural Information

Molecular Formula
C23H24O4
SMILES
C1CC1C(C2=CC=CC=C2)C3=C(C(OC3=O)C(CCC4=CC=CC=C4)O)O
InChI
InChI=1S/C23H24O4/c24-18(14-11-15-7-3-1-4-8-15)22-21(25)20(23(26)27-22)19(17-12-13-17)16-9-5-2-6-10-16/h1-10,17-19,22,24-25H,11-14H2
InChIKey
JHIFIUXVEYPGAE-UHFFFAOYSA-N
Compound name
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.16745 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17473 176.8
[M+Na]+ 387.15667 182.8
[M-H]- 363.16017 187.8
[M+NH4]+ 382.20127 183.3
[M+K]+ 403.13061 178.7
[M+H-H2O]+ 347.16471 169.5
[M+HCOO]- 409.16565 194.6
[M+CH3COO]- 423.18130 213.5
[M+Na-2H]- 385.14212 176.0
[M]+ 364.16690 179.1
[M]- 364.16800 179.1
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.