CID 42604751

3'-hydroxy-o-desmethylangolensin

Structural Information

Molecular Formula

C₁₅H₁₄O₅

SMILES

CC(C1=CC=C(C=C1)O)C(=O)C2=C(C(=C(C=C2)O)O)O

InChI

InChI=1S/C15H14O5/c1-8(9-2-4-10(16)5-3-9)13(18)11-6-7-12(17)15(20)14(11)19/h2-8,16-17,19-20H,1H3

InChIKey

XTSWJTBIEXVATN-UHFFFAOYSA-N

Compound name

2-(4-hydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 274.08414 Da
Monoisotopic Mass: 2.9
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]+	275.09142	159.6
[M+Na]+	297.07336	166.8
[M-H]-	273.07686	161.8
[M+NH4]+	292.11796	173.0
[M+K]+	313.04730	163.1
[M+H-H2O]+	257.08140	153.2
[M+HCOO]-	319.08234	176.7
[M+CH3COO]-	333.09799	191.9
[M+Na-2H]-	295.05881	160.0
[M]+	274.08359	158.5
[M]-	274.08469	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe