CID 75072280

2'-hydroxy-3',4',5',7,8-pentamethoxyflavan

Structural Information

Molecular Formula
C20H24O7
SMILES
COC1=C(C2=C(CCC(O2)C3=CC(=C(C(=C3O)OC)OC)OC)C=C1)OC
InChI
InChI=1S/C20H24O7/c1-22-14-9-7-11-6-8-13(27-17(11)18(14)24-3)12-10-15(23-2)19(25-4)20(26-5)16(12)21/h7,9-10,13,21H,6,8H2,1-5H3
InChIKey
WULREJCBPYVGCY-UHFFFAOYSA-N
Compound name
6-(7,8-dimethoxy-3,4-dihydro-2H-chromen-2-yl)-2,3,4-trimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1522 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15948 186.9
[M+Na]+ 399.14142 200.7
[M+NH4]+ 394.18602 193.2
[M+K]+ 415.11536 195.1
[M-H]- 375.14492 191.4
[M+Na-2H]- 397.12687 190.9
[M]+ 376.15165 190.2
[M]- 376.15275 190.2
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.