CID 5281575

Yangonin

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=O)O2)OC

InChI

InChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+

InChIKey

XLHIYUYCSMZCCC-VMPITWQZSA-N

Compound name

4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 38
References: 1070
Patents: 258.0892 Da
Monoisotopic Mass: 2.7
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]+	259.09648	155.7
[M+Na]+	281.07842	171.2
[M+NH4]+	276.12302	163.3
[M+K]+	297.05236	164.0
[M-H]-	257.08192	160.8
[M+Na-2H]-	279.06387	164.0
[M]+	258.08865	159.4
[M]-	258.08975	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe