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]+ 353.10198 180.8
[M+Na]+ 375.08392 192.4
[M-H]- 351.08742 188.5
[M+NH4]+ 370.12852 193.7
[M+K]+ 391.05786 190.1
[M+H-H2O]+ 335.09196 172.7
[M+HCOO]- 397.09290 195.6
[M+CH3COO]- 411.10855 192.2
[M+Na-2H]- 373.06937 187.2
[M]+ 352.09415 185.1
[M]- 352.09525 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.