CID 54691191

2-[(e)-cinnamyl]-4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2h-furan-5-one

Structural Information

Molecular Formula
C23H22O3
SMILES
C1CC1C(C2=CC=CC=C2)C3=C(C(OC3=O)C/C=C/C4=CC=CC=C4)O
InChI
InChI=1S/C23H22O3/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/h1-12,18-20,24H,13-15H2/b10-7+
InChIKey
IXGXJTULKVFORC-JXMROGBWSA-N
Compound name
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1569 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16418 175.5
[M+Na]+ 369.14612 182.9
[M-H]- 345.14962 187.8
[M+NH4]+ 364.19072 183.6
[M+K]+ 385.12006 177.9
[M+H-H2O]+ 329.15416 167.8
[M+HCOO]- 391.15510 195.7
[M+CH3COO]- 405.17075 186.1
[M+Na-2H]- 367.13157 175.7
[M]+ 346.15635 177.8
[M]- 346.15745 177.8
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.