CID 44259326

4'',5''-dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone

Structural Information

Molecular Formula
C21H20O7
SMILES
CC1CC(OC2=C1C3=C(C(=C2)O)C(=O)C(=C(O3)C4=CC(=C(C=C4)O)O)O)(C)C
InChI
InChI=1S/C21H20O7/c1-9-8-21(2,3)28-14-7-13(24)16-17(25)18(26)19(27-20(16)15(9)14)10-4-5-11(22)12(23)6-10/h4-7,9,22-24,26H,8H2,1-3H3
InChIKey
BTFODKJEEKUOHG-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-8,8,10-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1209 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12818 189.9
[M+Na]+ 407.11012 200.9
[M-H]- 383.11362 196.3
[M+NH4]+ 402.15472 201.2
[M+K]+ 423.08406 199.0
[M+H-H2O]+ 367.11816 182.2
[M+HCOO]- 429.11910 201.3
[M+CH3COO]- 443.13475 217.3
[M+Na-2H]- 405.09557 193.4
[M]+ 384.12035 193.9
[M]- 384.12145 193.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.