CID 67283061

Schembl2119037

Structural Information

Molecular Formula
C23H24O9
SMILES
COC1=C(C=CC(=C1)C=CC(=O)OCC(COC(=O)C=CC2=CC(=C(C=C2)O)OC)O)O
InChI
InChI=1S/C23H24O9/c1-29-20-11-15(3-7-18(20)25)5-9-22(27)31-13-17(24)14-32-23(28)10-6-16-4-8-19(26)21(12-16)30-2/h3-12,17,24-26H,13-14H2,1-2H3
InChIKey
PATJZXBBUQEFOY-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]propyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

444.14203 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.14931 201.5
[M+Na]+ 467.13125 205.3
[M-H]- 443.13475 203.7
[M+NH4]+ 462.17585 208.0
[M+K]+ 483.10519 203.0
[M+H-H2O]+ 427.13929 192.5
[M+HCOO]- 489.14023 217.6
[M+CH3COO]- 503.15588 223.1
[M+Na-2H]- 465.11670 198.0
[M]+ 444.14148 207.6
[M]- 444.14258 207.6
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

patents stripe