CID 162980199

3-(3,4-dimethoxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Structural Information

Molecular Formula
C23H24O10
SMILES
COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC
InChI
InChI=1S/C23H24O10/c1-29-15-6-3-11(7-17(15)30-2)14-10-31-16-8-12(4-5-13(16)19(14)25)32-23-22(28)21(27)20(26)18(9-24)33-23/h3-8,10,18,20-24,26-28H,9H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1
InChIKey
YTBPZTCMIQMEMA-DODNOZFWSA-N
Compound name
3-(3,4-dimethoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.13693 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.14421 205.9
[M+Na]+ 483.12615 212.5
[M-H]- 459.12965 213.4
[M+NH4]+ 478.17075 209.8
[M+K]+ 499.10009 213.0
[M+H-H2O]+ 443.13419 195.7
[M+HCOO]- 505.13513 217.2
[M+CH3COO]- 519.15078 229.8
[M+Na-2H]- 481.11160 206.1
[M]+ 460.13638 211.4
[M]- 460.13748 211.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.