CID 13983767

3'-hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone

Structural Information

Molecular Formula
C22H24O10
SMILES
COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
InChI
InChI=1S/C22H24O10/c1-25-12-9-10(8-11(23)16(12)26-2)15-19(28-4)14(24)13-17(27-3)20(29-5)22(31-7)21(30-6)18(13)32-15/h8-9,23H,1-7H3
InChIKey
VWAORUMUPBQCHI-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6,7,8-pentamethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

448.13693 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.14421 200.2
[M+Na]+ 471.12615 211.0
[M-H]- 447.12965 209.1
[M+NH4]+ 466.17075 209.1
[M+K]+ 487.10009 212.8
[M+H-H2O]+ 431.13419 190.4
[M+HCOO]- 493.13513 220.3
[M+CH3COO]- 507.15078 235.4
[M+Na-2H]- 469.11160 201.5
[M]+ 448.13638 217.0
[M]- 448.13748 217.0
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