CID 6476076

(3s,4s)-tetrahydrofuran-3,4-diyl (2e,2'e)bis[3-(3,4-dihydroxyphenyl)acrylate]

Structural Information

Molecular Formula
C22H20O9
SMILES
C1OC[C@@H]([C@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C22H20O9/c23-15-5-1-13(9-17(15)25)3-7-21(27)30-19-11-29-12-20(19)31-22(28)8-4-14-2-6-16(24)18(26)10-14/h1-10,19-20,23-26H,11-12H2/b7-3+,8-4+/t19-,20-/m0/s1
InChIKey
DCYDSWFPJMYFRX-QFZCZCNSSA-N
Compound name
[(3S,4S)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxyoxolan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

428.11072 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.11800 196.4
[M+Na]+ 451.09994 200.5
[M-H]- 427.10344 201.7
[M+NH4]+ 446.14454 203.2
[M+K]+ 467.07388 198.0
[M+H-H2O]+ 411.10798 188.7
[M+HCOO]- 473.10892 210.6
[M+CH3COO]- 487.12457 216.2
[M+Na-2H]- 449.08539 192.6
[M]+ 428.11017 197.5
[M]- 428.11127 197.5
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.