CID 14037441

5-hydroxy-3,6,7,3',4',5'-hexamethoxyflavone

Structural Information

Molecular Formula
C21H22O9
SMILES
COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC
InChI
InChI=1S/C21H22O9/c1-24-12-7-10(8-13(25-2)19(12)27-4)18-21(29-6)17(23)15-11(30-18)9-14(26-3)20(28-5)16(15)22/h7-9,22H,1-6H3
InChIKey
XZKJITYVVLNMNW-UHFFFAOYSA-N
Compound name
5-hydroxy-3,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

418.12637 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.13365 193.5
[M+Na]+ 441.11559 204.4
[M-H]- 417.11909 202.3
[M+NH4]+ 436.16019 203.6
[M+K]+ 457.08953 205.3
[M+H-H2O]+ 401.12363 184.1
[M+HCOO]- 463.12457 214.0
[M+CH3COO]- 477.14022 228.8
[M+Na-2H]- 439.10104 195.7
[M]+ 418.12582 208.2
[M]- 418.12692 208.2
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