CID 14157896

Loureirin c

Structural Information

Molecular Formula

C₁₆H₁₆O₄

SMILES

COC1=C(C=CC(=C1)O)CCC(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C16H16O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-4,6-8,10,17-18H,5,9H2,1H3

InChIKey

LCKRZXFBCWYAKU-UHFFFAOYSA-N

Compound name

3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 9
Patents: 272.10486 Da
Monoisotopic Mass: 2.8
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]+	273.112136	160.9
[M+Na]+	295.094078	168.2
[M-H]-	271.097584	165.3
[M+NH4]+	290.138683	175.8
[M+K]+	311.068018	164.5
[M+H-H2O]+	255.102120	153.7
[M+HCOO]-	317.103061	181.6
[M+CH3COO]-	331.118711	194.8
[M+Na-2H]-	293.079526	163.6
[M]+	272.10431142	162.5
[M]-	272.10540858	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe