CID 42607714

2',3'-dihydroxy-4',6'-dimethoxydihydrochalcone

Structural Information

Molecular Formula

C₁₇H₁₈O₅

SMILES

COC1=CC(=C(C(=C1C(=O)CCC2=CC=CC=C2)O)O)OC

InChI

InChI=1S/C17H18O5/c1-21-13-10-14(22-2)16(19)17(20)15(13)12(18)9-8-11-6-4-3-5-7-11/h3-7,10,19-20H,8-9H2,1-2H3

InChIKey

RZFPYTZZSXAWPH-UHFFFAOYSA-N

Compound name

1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 302.11542 Da
Monoisotopic Mass: 3.3
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]+	303.122696	167.9
[M+Na]+	325.104638	175.5
[M-H]-	301.108144	172.5
[M+NH4]+	320.149243	181.8
[M+K]+	341.078578	172.4
[M+H-H2O]+	285.112680	160.4
[M+HCOO]-	347.113621	188.4
[M+CH3COO]-	361.129271	201.3
[M+Na-2H]-	323.090086	169.5
[M]+	302.11487142	171.8
[M]-	302.11596858	171.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.