CID 44259047

3,5,7,4'-tetrahydroxy-6-(3-hydroxy-3-methylbutyl)flavone

Structural Information

Molecular Formula
C20H20O7
SMILES
CC(C)(CCC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)O
InChI
InChI=1S/C20H20O7/c1-20(2,26)8-7-12-13(22)9-14-15(16(12)23)17(24)18(25)19(27-14)10-3-5-11(21)6-4-10/h3-6,9,21-23,25-26H,7-8H2,1-2H3
InChIKey
CIYMYAQLSJQKAQ-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1209 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12818 186.1
[M+Na]+ 395.11012 195.0
[M-H]- 371.11362 189.3
[M+NH4]+ 390.15472 195.2
[M+K]+ 411.08406 191.7
[M+H-H2O]+ 355.11816 179.0
[M+HCOO]- 417.11910 199.2
[M+CH3COO]- 431.13475 210.8
[M+Na-2H]- 393.09557 189.2
[M]+ 372.12035 189.4
[M]- 372.12145 189.4
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.