CID 13908971

3-(2,4-dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4h-furo[2,3-h]-1-benzopyran-5-one

Structural Information

Molecular Formula
C20H16O6
SMILES
CC(=C)C1CC2=C(O1)C=C(C3=C2OC=C(C3=O)C4=C(C=C(C=C4)O)O)O
InChI
InChI=1S/C20H16O6/c1-9(2)16-6-12-17(26-16)7-15(23)18-19(24)13(8-25-20(12)18)11-4-3-10(21)5-14(11)22/h3-5,7-8,16,21-23H,1,6H2,2H3
InChIKey
CQTPXERAFJKQTG-UHFFFAOYSA-N
Compound name
3-(2,4-dihydroxyphenyl)-5-hydroxy-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0947 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.101976 179.5
[M+Na]+ 375.083918 189.7
[M-H]- 351.087424 187.1
[M+NH4]+ 370.128523 192.2
[M+K]+ 391.057858 186.8
[M+H-H2O]+ 335.091960 173.5
[M+HCOO]- 397.092901 194.4
[M+CH3COO]- 411.108551 190.7
[M+Na-2H]- 373.069366 181.1
[M]+ 352.09415142 183.0
[M]- 352.09524858 183.0
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.