CID 162921806

(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[[(2s)-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2h-chromen-5-yl]oxy]oxane-3,4,5-triol

Structural Information

Molecular Formula
C23H28O9
SMILES
COC1=CC=C(C=C1)[C@@H]2CCC3=C(O2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC
InChI
InChI=1S/C23H28O9/c1-28-13-5-3-12(4-6-13)16-8-7-15-17(30-16)9-14(29-2)10-18(15)31-23-22(27)21(26)20(25)19(11-24)32-23/h3-6,9-10,16,19-27H,7-8,11H2,1-2H3/t16-,19+,20+,21-,22+,23+/m0/s1
InChIKey
MPDDNOZYQCUCDA-MYFLWUJOSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2S)-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-5-yl]oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.17334 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.18062 205.0
[M+Na]+ 471.16256 209.1
[M-H]- 447.16606 211.4
[M+NH4]+ 466.20716 209.3
[M+K]+ 487.13650 209.2
[M+H-H2O]+ 431.17060 195.3
[M+HCOO]- 493.17154 213.3
[M+CH3COO]- 507.18719 227.0
[M+Na-2H]- 469.14801 204.0
[M]+ 448.17279 206.6
[M]- 448.17389 206.6
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.