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]+ 433.149306 200.5
[M+Na]+ 455.131248 206.3
[M-H]- 431.134754 207.5
[M+NH4]+ 450.175853 205.7
[M+K]+ 471.105188 206.1
[M+H-H2O]+ 415.139290 191.3
[M+HCOO]- 477.140231 209.3
[M+CH3COO]- 491.155881 225.2
[M+Na-2H]- 453.116696 199.4
[M]+ 432.14148142 201.7
[M]- 432.14257858 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.