CID 154700123

Ns00117832

Structural Information

Molecular Formula
C23H22O11
SMILES
COC1=CC=CC(=C1OC)C2=C(C(=O)C3=CC=CC=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O
InChI
InChI=1S/C23H22O11/c1-30-13-9-5-7-11(18(13)31-2)19-20(14(24)10-6-3-4-8-12(10)32-19)33-23-17(27)15(25)16(26)21(34-23)22(28)29/h3-9,15-17,21,23,25-27H,1-2H3,(H,28,29)
InChIKey
YWIFYTGFZNWLSF-UHFFFAOYSA-N
Compound name
6-[2-(2,3-dimethoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

474.1162 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.123476 206.1
[M+Na]+ 497.105418 212.2
[M-H]- 473.108924 213.6
[M+NH4]+ 492.150023 209.1
[M+K]+ 513.079358 213.8
[M+H-H2O]+ 457.113460 195.9
[M+HCOO]- 519.114401 216.7
[M+CH3COO]- 533.130051 233.1
[M+Na-2H]- 495.090866 205.6
[M]+ 474.11565142 211.7
[M]- 474.11674858 211.7
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.