CID 86573852

3-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-5-(4-hydroxybenzyl)-4-methyldihydrofuran-2(3h)-one

Structural Information

Molecular Formula
C23H26O4
SMILES
CC1C(OC(=O)C1C2=CC(=C(C=C2)CC=C(C)C)O)CC3=CC=C(C=C3)O
InChI
InChI=1S/C23H26O4/c1-14(2)4-7-17-8-9-18(13-20(17)25)22-15(3)21(27-23(22)26)12-16-5-10-19(24)11-6-16/h4-6,8-11,13,15,21-22,24-25H,7,12H2,1-3H3
InChIKey
DKONIHYALJLLSF-UHFFFAOYSA-N
Compound name
3-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-5-[(4-hydroxyphenyl)methyl]-4-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1831 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19038 189.8
[M+Na]+ 389.17232 196.3
[M-H]- 365.17582 197.9
[M+NH4]+ 384.21692 201.7
[M+K]+ 405.14626 191.6
[M+H-H2O]+ 349.18036 182.5
[M+HCOO]- 411.18130 206.6
[M+CH3COO]- 425.19695 215.0
[M+Na-2H]- 387.15777 185.6
[M]+ 366.18255 190.4
[M]- 366.18365 190.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.