CID 54691104

Schembl6175679

Structural Information

Molecular Formula
C25H28O3
SMILES
CCCC1(CC(=C(C(=O)O1)C(C=C)C2=CC=CC=C2)O)CCC3=CC=CC=C3
InChI
InChI=1S/C25H28O3/c1-3-16-25(17-15-19-11-7-5-8-12-19)18-22(26)23(24(27)28-25)21(4-2)20-13-9-6-10-14-20/h4-14,21,26H,2-3,15-18H2,1H3
InChIKey
JMDSLWXUUIGCIE-UHFFFAOYSA-N
Compound name
4-hydroxy-2-(2-phenylethyl)-5-(1-phenylprop-2-enyl)-2-propyl-3H-pyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

376.20386 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.21114 194.7
[M+Na]+ 399.19308 199.3
[M-H]- 375.19658 202.7
[M+NH4]+ 394.23768 206.0
[M+K]+ 415.16702 194.5
[M+H-H2O]+ 359.20112 185.3
[M+HCOO]- 421.20206 211.3
[M+CH3COO]- 435.21771 217.6
[M+Na-2H]- 397.17853 195.3
[M]+ 376.20331 194.5
[M]- 376.20441 194.5
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.