CID 54691200

2(5h)-furanone, 3-(1-phenyl-2-propenyl)-5-(3-phenylpropyl)-

Structural Information

Molecular Formula
C22H22O3
SMILES
C=CC(C1=CC=CC=C1)C2=C(C(OC2=O)CCCC3=CC=CC=C3)O
InChI
InChI=1S/C22H22O3/c1-2-18(17-13-7-4-8-14-17)20-21(23)19(25-22(20)24)15-9-12-16-10-5-3-6-11-16/h2-8,10-11,13-14,18-19,23H,1,9,12,15H2
InChIKey
QNASDTJGVZLEAU-UHFFFAOYSA-N
Compound name
3-hydroxy-4-(1-phenylprop-2-enyl)-2-(3-phenylpropyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1569 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16418 181.5
[M+Na]+ 357.14612 187.3
[M-H]- 333.14962 190.3
[M+NH4]+ 352.19072 194.6
[M+K]+ 373.12006 182.6
[M+H-H2O]+ 317.15416 173.5
[M+HCOO]- 379.15510 201.4
[M+CH3COO]- 393.17075 208.5
[M+Na-2H]- 355.13157 181.0
[M]+ 334.15635 182.3
[M]- 334.15745 182.3
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.