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]+ 419.13365 195.1
[M+Na]+ 441.11559 200.5
[M-H]- 417.11909 202.0
[M+NH4]+ 436.16019 200.6
[M+K]+ 457.08953 200.3
[M+H-H2O]+ 401.12363 185.9
[M+HCOO]- 463.12457 204.4
[M+CH3COO]- 477.14022 220.8
[M+Na-2H]- 439.10104 195.2
[M]+ 418.12582 195.5
[M]- 418.12692 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.