CID 44260072

5,7,3',4'-tetrahydroxy-3,6,8,5'-tetramethoxyflavone

Structural Information

Molecular Formula
C19H18O10
SMILES
COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC
InChI
InChI=1S/C19H18O10/c1-25-9-6-7(5-8(20)11(9)21)15-18(27-3)13(23)10-12(22)17(26-2)14(24)19(28-4)16(10)29-15/h5-6,20-22,24H,1-4H3
InChIKey
KUQFDAPYMLGEMC-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.09 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.09728 188.4
[M+Na]+ 429.07922 199.1
[M-H]- 405.08272 193.8
[M+NH4]+ 424.12382 197.0
[M+K]+ 445.05316 199.3
[M+H-H2O]+ 389.08726 179.9
[M+HCOO]- 451.08820 205.0
[M+CH3COO]- 465.10385 221.2
[M+Na-2H]- 427.06467 189.8
[M]+ 406.08945 199.0
[M]- 406.09055 199.0
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.