CID 54691192

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

Structural Information

Molecular Formula
C23H22O4
SMILES
C1CC1C(C2=CC=CC=C2)C3=C(C(OC3=O)C(/C=C/C4=CC=CC=C4)O)O
InChI
InChI=1S/C23H22O4/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/h1-11,14,17-19,22,24-25H,12-13H2/b14-11+
InChIKey
WHUWYUXQAVTLCG-SDNWHVSQSA-N
Compound name
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1518 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15908 176.7
[M+Na]+ 385.14102 183.1
[M-H]- 361.14452 187.7
[M+NH4]+ 380.18562 183.2
[M+K]+ 401.11496 178.4
[M+H-H2O]+ 345.14906 169.5
[M+HCOO]- 407.15000 194.7
[M+CH3COO]- 421.16565 212.3
[M+Na-2H]- 383.12647 175.8
[M]+ 362.15125 178.2
[M]- 362.15235 178.2
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.