CID 75614571

4'-o-methylglucoliquiritigenin

Structural Information

Molecular Formula
C22H24O9
SMILES
COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C22H24O9/c1-28-12-4-2-11(3-5-12)16-9-15(24)14-7-6-13(8-17(14)30-16)29-22-21(27)20(26)19(25)18(10-23)31-22/h2-8,16,18-23,25-27H,9-10H2,1H3
InChIKey
SBKZROAYFHGDCO-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.149306 199.6
[M+Na]+ 455.131248 204.4
[M-H]- 431.134754 206.2
[M+NH4]+ 450.175853 204.4
[M+K]+ 471.105188 204.1
[M+H-H2O]+ 415.139290 190.1
[M+HCOO]- 477.140231 208.4
[M+CH3COO]- 491.155881 223.7
[M+Na-2H]- 453.116696 199.1
[M]+ 432.14148142 200.2
[M]- 432.14257858 200.2
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.