CID 74819383

Isosakuranetin 7-xyloside

Structural Information

Molecular Formula
C21H22O9
SMILES
COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(CO4)O)O)O)O
InChI
InChI=1S/C21H22O9/c1-27-11-4-2-10(3-5-11)16-8-14(23)18-13(22)6-12(7-17(18)30-16)29-21-20(26)19(25)15(24)9-28-21/h2-7,15-16,19-22,24-26H,8-9H2,1H3
InChIKey
CNNUKFIXGVQJSF-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-methoxyphenyl)-7-(3,4,5-trihydroxyoxan-2-yl)oxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

418.12637 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.133646 195.1
[M+Na]+ 441.115588 200.5
[M-H]- 417.119094 202.0
[M+NH4]+ 436.160193 200.6
[M+K]+ 457.089528 200.3
[M+H-H2O]+ 401.123630 185.9
[M+HCOO]- 463.124571 204.4
[M+CH3COO]- 477.140221 220.8
[M+Na-2H]- 439.101036 195.2
[M]+ 418.12582142 195.5
[M]- 418.12691858 195.5
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.