CID 10266895

Dihydroflavokawain c

Structural Information

Molecular Formula

C₁₇H₁₈O₅

SMILES

COC1=CC(=C(C(=C1)OC)C(=O)CCC2=CC=C(C=C2)O)O

InChI

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

InChIKey

VFHSXDLCCBWTTJ-UHFFFAOYSA-N

Compound name

1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
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

patents stripe