CID 56776287

Compound np-018146

Structural Information

Molecular Formula
C20H22O9
SMILES
C1C(C(OC2=CC(=CC(=C21)O)OC3C(C(C(O3)CO)O)O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C20H22O9/c21-8-16-17(25)18(26)20(29-16)27-11-5-13(23)12-7-14(24)19(28-15(12)6-11)9-1-3-10(22)4-2-9/h1-6,14,16-26H,7-8H2
InChIKey
XWFQRXGYJJOFCO-UHFFFAOYSA-N
Compound name
7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

406.12637 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.133646 190.4
[M+Na]+ 429.115588 195.8
[M-H]- 405.119094 195.3
[M+NH4]+ 424.160193 197.2
[M+K]+ 445.089528 194.5
[M+H-H2O]+ 389.123630 183.8
[M+HCOO]- 451.124571 199.1
[M+CH3COO]- 465.140221 213.8
[M+Na-2H]- 427.101036 188.9
[M]+ 406.12582142 190.1
[M]- 406.12691858 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.