CID 14162684

5,6,7,8,3',4',5'-heptamethoxyflavanone

Structural Information

Molecular Formula
C22H26O9
SMILES
COC1=CC(=CC(=C1OC)OC)C2CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC
InChI
InChI=1S/C22H26O9/c1-24-14-8-11(9-15(25-2)17(14)26-3)13-10-12(23)16-18(27-4)20(28-5)22(30-7)21(29-6)19(16)31-13/h8-9,13H,10H2,1-7H3
InChIKey
CILDMLWCNDIKLD-UHFFFAOYSA-N
Compound name
5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.15768 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.16496 198.3
[M+Na]+ 457.14690 207.3
[M-H]- 433.15040 207.4
[M+NH4]+ 452.19150 208.3
[M+K]+ 473.12084 209.0
[M+H-H2O]+ 417.15494 188.8
[M+HCOO]- 479.15588 217.1
[M+CH3COO]- 493.17153 234.4
[M+Na-2H]- 455.13235 198.9
[M]+ 434.15713 212.4
[M]- 434.15823 212.4
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.