CID 131751080

11-methoxynoryangonin

Structural Information

Molecular Formula

C₁₅H₁₄O₅

SMILES

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

InChI

InChI=1S/C15H14O5/c1-18-12-8-11(20-15(17)9-12)5-3-10-4-6-13(16)14(7-10)19-2/h3-9,16H,1-2H3/b5-3-

InChIKey

YHVDGZPFCGLBOW-HYXAFXHYSA-N

Compound name

6-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-methoxypyran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 274.08414 Da
Monoisotopic Mass: 2.4
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]+	275.091416	158.3
[M+Na]+	297.073358	168.1
[M-H]-	273.076864	165.4
[M+NH4]+	292.117963	173.0
[M+K]+	313.047298	166.1
[M+H-H2O]+	257.081400	150.9
[M+HCOO]-	319.082341	181.4
[M+CH3COO]-	333.097991	195.6
[M+Na-2H]-	295.058806	163.5
[M]+	274.08359142	163.8
[M]-	274.08468858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe