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]+ 447.164956 203.3
[M+Na]+ 469.146898 206.1
[M-H]- 445.150404 206.5
[M+NH4]+ 464.191503 207.0
[M+K]+ 485.120838 203.7
[M+H-H2O]+ 429.154940 193.9
[M+HCOO]- 491.155881 213.9
[M+CH3COO]- 505.171531 221.1
[M+Na-2H]- 467.132346 200.3
[M]+ 446.15713142 203.4
[M]- 446.15822858 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.