CID 14332451

5,6,7,2',3',4',5'-heptamethoxyflavanone

Structural Information

Molecular Formula
C22H26O9
SMILES
COC1=C(C(=C(C(=C1)C2CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)OC)OC
InChI
InChI=1S/C22H26O9/c1-24-15-8-11(18(26-3)22(30-7)20(15)28-5)13-9-12(23)17-14(31-13)10-16(25-2)19(27-4)21(17)29-6/h8,10,13H,9H2,1-7H3
InChIKey
IRGHIHOWMUMHJU-UHFFFAOYSA-N
Compound name
5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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

patents stripe