CID 13942679

5,7,4',5'-tetrahydroxy-3,6,8,2'-tetramethoxyflavone

Structural Information

Molecular Formula
C19H18O10
SMILES
COC1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O)O
InChI
InChI=1S/C19H18O10/c1-25-10-6-9(21)8(20)5-7(10)15-18(27-3)13(23)11-12(22)17(26-2)14(24)19(28-4)16(11)29-15/h5-6,20-22,24H,1-4H3
InChIKey
SPLZFXSWDGSNFD-UHFFFAOYSA-N
Compound name
2-(4,5-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

patents stripe