CID 131751185

Schembl30123625

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: 1
Patents: 432.14203 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	433.149306	199.0
[M+Na]+	455.131248	202.3
[M-H]-	431.134754	202.5
[M+NH4]+	450.175853	203.3
[M+K]+	471.105188	200.1
[M+H-H2O]+	415.139290	189.8
[M+HCOO]-	477.140231	209.9
[M+CH3COO]-	491.155881	218.2
[M+Na-2H]-	453.116696	196.5
[M]+	432.14148142	198.8
[M]-	432.14257858	198.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe