CID 44260053

5,7,8-trihydroxy-3,6,4'-trimethoxy-flavone 8-isovalerate

Structural Information

Molecular Formula
C23H24O9
SMILES
CC(C)CC(=O)OC1=C2C(=C(C(=C1O)OC)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)OC
InChI
InChI=1S/C23H24O9/c1-11(2)10-14(24)31-23-18(27)21(29-4)16(25)15-17(26)22(30-5)19(32-20(15)23)12-6-8-13(28-3)9-7-12/h6-9,11,25,27H,10H2,1-5H3
InChIKey
PVQRYAUIDUWRKS-UHFFFAOYSA-N
Compound name
[5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl] 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.14203 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.14931 201.3
[M+Na]+ 467.13125 209.6
[M-H]- 443.13475 208.1
[M+NH4]+ 462.17585 209.1
[M+K]+ 483.10519 210.0
[M+H-H2O]+ 427.13929 192.1
[M+HCOO]- 489.14023 217.8
[M+CH3COO]- 503.15588 231.9
[M+Na-2H]- 465.11670 200.5
[M]+ 444.14148 212.5
[M]- 444.14258 212.5
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.