CID 44257521

6,7,8,3',4'-pentamethoxyisoflavanquinone

Structural Information

Molecular Formula
C20H22O8
SMILES
COC1=C(C(=C2C(=C1)CC(CO2)C3=CC(=O)C(=C(C3=O)OC)OC)OC)OC
InChI
InChI=1S/C20H22O8/c1-23-14-7-10-6-11(9-28-16(10)20(27-5)18(14)25-3)12-8-13(21)17(24-2)19(26-4)15(12)22/h7-8,11H,6,9H2,1-5H3
InChIKey
TZOHVRDKXUMVIU-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-5-(6,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-yl)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.13147 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.13875 186.1
[M+Na]+ 413.12069 194.9
[M-H]- 389.12419 195.0
[M+NH4]+ 408.16529 197.8
[M+K]+ 429.09463 195.5
[M+H-H2O]+ 373.12873 177.4
[M+HCOO]- 435.12967 204.4
[M+CH3COO]- 449.14532 224.7
[M+Na-2H]- 411.10614 187.4
[M]+ 390.13092 195.7
[M]- 390.13202 195.7
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.