CID 44259050

3,5,4'-trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone

Structural Information

Molecular Formula
C20H16O6
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=C(O3)C4=CC=C(C=C4)O)O)C
InChI
InChI=1S/C20H16O6/c1-20(2)8-7-12-13(26-20)9-14-15(16(12)22)17(23)18(24)19(25-14)10-3-5-11(21)6-4-10/h3-9,21-22,24H,1-2H3
InChIKey
XJQNLYIIAXPVHU-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0947 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.101976 180.8
[M+Na]+ 375.083918 192.4
[M-H]- 351.087424 188.5
[M+NH4]+ 370.128523 193.7
[M+K]+ 391.057858 190.1
[M+H-H2O]+ 335.091960 172.7
[M+HCOO]- 397.092901 195.6
[M+CH3COO]- 411.108551 192.2
[M+Na-2H]- 373.069366 187.2
[M]+ 352.09415142 185.1
[M]- 352.09524858 185.1
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.