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 197.4
[M+Na]+ 439.13635 203.1
[M-H]- 415.13985 205.4
[M+NH4]+ 434.18095 203.8
[M+K]+ 455.11029 202.5
[M+H-H2O]+ 399.14439 188.0
[M+HCOO]- 461.14533 207.6
[M+CH3COO]- 475.16098 223.0
[M+Na-2H]- 437.12180 197.0
[M]+ 416.14658 198.2
[M]- 416.14768 198.2
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.