CID 11022479

Neosakuranetin

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

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

InChI

InChI=1S/C16H14O5/c1-21-12-8-14(19)16(15(20)9-12)13(18)7-4-10-2-5-11(17)6-3-10/h2-9,17,19-20H,1H3/b7-4+

InChIKey

JGPQAWUEYNNXOH-QPJJXVBHSA-N

Compound name

(E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 286.08414 Da
Monoisotopic Mass: 3.1
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]+	287.09142	162.8
[M+Na]+	309.07336	170.8
[M-H]-	285.07686	166.3
[M+NH4]+	304.11796	176.6
[M+K]+	325.04730	166.5
[M+H-H2O]+	269.08140	155.9
[M+HCOO]-	331.08234	182.4
[M+CH3COO]-	345.09799	194.7
[M+Na-2H]-	307.05881	164.5
[M]+	286.08359	163.7
[M]-	286.08469	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe