CID 3009615

5-[(3s,4r)-4-hydroxy-6,7,8-trimethoxy-chroman-3-yl]-2,3-dimethoxy-benzene-1,4-diol

Structural Information

Molecular Formula
C20H24O9
SMILES
COC1=C(C(=C2C(=C1)[C@@H]([C@H](CO2)C3=CC(=C(C(=C3O)OC)OC)O)O)OC)OC
InChI
InChI=1S/C20H24O9/c1-24-13-7-10-14(22)11(8-29-16(10)20(28-5)18(13)26-3)9-6-12(21)17(25-2)19(27-4)15(9)23/h6-7,11,14,21-23H,8H2,1-5H3/t11-,14+/m1/s1
InChIKey
NBOVJURIMDHEEI-RISCZKNCSA-N
Compound name
5-[(3S,4R)-4-hydroxy-6,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-yl]-2,3-dimethoxybenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.14203 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.14931 192.3
[M+Na]+ 431.13125 200.5
[M-H]- 407.13475 197.7
[M+NH4]+ 426.17585 201.4
[M+K]+ 447.10519 200.9
[M+H-H2O]+ 391.13929 183.8
[M+HCOO]- 453.14023 207.1
[M+CH3COO]- 467.15588 223.2
[M+Na-2H]- 429.11670 192.5
[M]+ 408.14148 201.2
[M]- 408.14258 201.2
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.