CID 131752450

[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl] (e)-3-(4-hydroxyphenyl)prop-2-enoate

Structural Information

Molecular Formula
C23H26O9
SMILES
C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)OC(=O)/C=C/C3=CC=C(C=C3)O)O)O)O
InChI
InChI=1S/C23H26O9/c24-13-18-22(32-19(27)10-5-14-1-6-16(25)7-2-14)20(28)21(29)23(31-18)30-12-11-15-3-8-17(26)9-4-15/h1-10,18,20-26,28-29H,11-13H2/b10-5+
InChIKey
TXIKDCCKEBXQGU-BJMVGYQFSA-N
Compound name
[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.15768 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.16496 203.3
[M+Na]+ 469.14690 206.1
[M-H]- 445.15040 206.5
[M+NH4]+ 464.19150 207.0
[M+K]+ 485.12084 203.7
[M+H-H2O]+ 429.15494 193.9
[M+HCOO]- 491.15588 213.9
[M+CH3COO]- 505.17153 221.1
[M+Na-2H]- 467.13235 200.3
[M]+ 446.15713 203.4
[M]- 446.15823 203.4
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.