CID 86573854

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

Structural Information

Molecular Formula
C23H24O4
SMILES
CC\1C(C(=O)O/C1=C\C2=CC=C(C=C2)O)C3=CC(=C(C=C3)CC=C(C)C)O
InChI
InChI=1S/C23H24O4/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/h4-6,8-13,15,22,24-25H,7H2,1-3H3/b21-12-
InChIKey
INWBNVWKWLOEKI-MTJSOVHGSA-N
Compound name
(5Z)-3-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-5-[(4-hydroxyphenyl)methylidene]-4-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.16745 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17473 188.9
[M+Na]+ 387.15667 195.8
[M-H]- 363.16017 197.1
[M+NH4]+ 382.20127 200.9
[M+K]+ 403.13061 190.5
[M+H-H2O]+ 347.16471 181.7
[M+HCOO]- 409.16565 205.9
[M+CH3COO]- 423.18130 213.7
[M+Na-2H]- 385.14212 184.7
[M]+ 364.16690 188.7
[M]- 364.16800 188.7
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.