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]+ 385.128176 189.9
[M+Na]+ 407.110118 200.9
[M-H]- 383.113624 196.3
[M+NH4]+ 402.154723 201.2
[M+K]+ 423.084058 199.0
[M+H-H2O]+ 367.118160 182.2
[M+HCOO]- 429.119101 201.3
[M+CH3COO]- 443.134751 217.3
[M+Na-2H]- 405.095566 193.4
[M]+ 384.12035142 193.9
[M]- 384.12144858 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.