CID 42608106

5,6,7,3',4',5'-hexamethoxyflavanone

Structural Information

Molecular Formula
C21H24O8
SMILES
COC1=CC(=CC(=C1OC)OC)C2CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC
InChI
InChI=1S/C21H24O8/c1-23-15-7-11(8-16(24-2)19(15)26-4)13-9-12(22)18-14(29-13)10-17(25-3)20(27-5)21(18)28-6/h7-8,10,13H,9H2,1-6H3
InChIKey
CYJWWPSCJSSHJX-UHFFFAOYSA-N
Compound name
5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.14713 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15441 191.6
[M+Na]+ 427.13635 200.7
[M-H]- 403.13985 200.7
[M+NH4]+ 422.18095 202.8
[M+K]+ 443.11029 201.5
[M+H-H2O]+ 387.14439 182.4
[M+HCOO]- 449.14533 210.8
[M+CH3COO]- 463.16098 227.8
[M+Na-2H]- 425.12180 193.1
[M]+ 404.14658 203.6
[M]- 404.14768 203.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.