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]+ 377.159476 186.7
[M+Na]+ 399.141418 194.9
[M-H]- 375.144924 194.2
[M+NH4]+ 394.186023 198.3
[M+K]+ 415.115358 194.8
[M+H-H2O]+ 359.149460 177.9
[M+HCOO]- 421.150401 204.4
[M+CH3COO]- 435.166051 219.6
[M+Na-2H]- 397.126866 188.6
[M]+ 376.15165142 195.4
[M]- 376.15274858 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.