CID 12846318

(-)-(betar)-mphpv

Structural Information

Molecular Formula

C₁₇H₁₈O₆

SMILES

COC1=CC=CC=C1O[C@H](CO)C(=O)C2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C17H18O6/c1-21-13-5-3-4-6-14(13)23-16(10-18)17(20)11-7-8-12(19)15(9-11)22-2/h3-9,16,18-19H,10H2,1-2H3/t16-/m1/s1

InChIKey

BUJCVBRLTBAYCW-MRXNPFEDSA-N

Compound name

(2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 0
Patents: 318.11035 Da
Monoisotopic Mass: 2.2
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]+	319.117626	170.9
[M+Na]+	341.099568	177.0
[M-H]-	317.103074	175.1
[M+NH4]+	336.144173	183.5
[M+K]+	357.073508	175.1
[M+H-H2O]+	301.107610	163.0
[M+HCOO]-	363.108551	190.5
[M+CH3COO]-	377.124201	203.1
[M+Na-2H]-	339.085016	172.1
[M]+	318.10980142	175.1
[M]-	318.11089858	175.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.