CID 131751185

Chebi:176098

Structural Information

Molecular Formula
C22H24O9
SMILES
C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)COC(=O)/C=C/C3=CC=C(C=C3)O)O)O)O
InChI
InChI=1S/C22H24O9/c23-11-14-3-1-2-4-16(14)30-22-21(28)20(27)19(26)17(31-22)12-29-18(25)10-7-13-5-8-15(24)9-6-13/h1-10,17,19-24,26-28H,11-12H2/b10-7+
InChIKey
ODOVSOIHEQVVMZ-JXMROGBWSA-N
Compound name
[3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

432.14203 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.14931 199.0
[M+Na]+ 455.13125 202.3
[M-H]- 431.13475 202.5
[M+NH4]+ 450.17585 203.3
[M+K]+ 471.10519 200.1
[M+H-H2O]+ 415.13929 189.8
[M+HCOO]- 477.14023 209.9
[M+CH3COO]- 491.15588 218.2
[M+Na-2H]- 453.11670 196.5
[M]+ 432.14148 198.8
[M]- 432.14258 198.8
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

patents stripe