CID 131752850

4'-methylliquiritigenin 7-rhamnoside

Structural Information

Molecular Formula
C22H24O8
SMILES
CC1C(C(C(C(O1)OC2=CC3=C(C=C2)C(=O)CC(O3)C4=CC=C(C=C4)OC)O)O)O
InChI
InChI=1S/C22H24O8/c1-11-19(24)20(25)21(26)22(28-11)29-14-7-8-15-16(23)10-17(30-18(15)9-14)12-3-5-13(27-2)6-4-12/h3-9,11,17,19-22,24-26H,10H2,1-2H3
InChIKey
NWKQVQSCGKFWMB-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-7-(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

416.14713 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.15441 197.0
[M+Na]+ 439.13635 209.6
[M+NH4]+ 434.18095 202.2
[M+K]+ 455.11029 205.3
[M-H]- 415.13985 203.4
[M+Na-2H]- 437.12180 199.4
[M]+ 416.14658 200.4
[M]- 416.14768 200.4
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.