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 186.7
[M+Na]+ 399.14142 194.9
[M-H]- 375.14492 194.2
[M+NH4]+ 394.18602 198.3
[M+K]+ 415.11536 194.8
[M+H-H2O]+ 359.14946 177.9
[M+HCOO]- 421.15040 204.4
[M+CH3COO]- 435.16605 219.6
[M+Na-2H]- 397.12687 188.6
[M]+ 376.15165 195.4
[M]- 376.15275 195.4
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.