CID 102434921

(2s)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one

Structural Information

Molecular Formula
C22H24O9
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=O)C[C@H](OC3=C2)C4=CC=C(C=C4)OC)O)O)O)O
InChI
InChI=1S/C22H24O9/c1-10-19(25)20(26)21(27)22(29-10)30-13-7-14(23)18-15(24)9-16(31-17(18)8-13)11-3-5-12(28-2)6-4-11/h3-8,10,16,19-23,25-27H,9H2,1-2H3/t10-,16-,19-,20+,21+,22-/m0/s1
InChIKey
LBGSZVCVDNTPPJ-WLFXGSQNSA-N
Compound name
(2S)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.14203 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.14931 200.5
[M+Na]+ 455.13125 206.3
[M-H]- 431.13475 207.5
[M+NH4]+ 450.17585 205.7
[M+K]+ 471.10519 206.1
[M+H-H2O]+ 415.13929 191.3
[M+HCOO]- 477.14023 209.3
[M+CH3COO]- 491.15588 225.2
[M+Na-2H]- 453.11670 199.4
[M]+ 432.14148 201.7
[M]- 432.14258 201.7
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.