CID 24720233

3'-methoxyisoflavone

Structural Information

Molecular Formula

C₁₆H₁₂O₃

SMILES

COC1=CC=CC(=C1)C2=COC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H12O3/c1-18-12-6-4-5-11(9-12)14-10-19-15-8-3-2-7-13(15)16(14)17/h2-10H,1H3

InChIKey

JAMOLNJIPWEGGF-UHFFFAOYSA-N

Compound name

3-(3-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 13
Patents: 252.07864 Da
Monoisotopic Mass: 3.2
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]+	253.085916	153.2
[M+Na]+	275.067858	163.4
[M-H]-	251.071364	162.3
[M+NH4]+	270.112463	170.1
[M+K]+	291.041798	160.7
[M+H-H2O]+	235.075900	145.4
[M+HCOO]-	297.076841	176.6
[M+CH3COO]-	311.092491	167.1
[M+Na-2H]-	273.053306	161.9
[M]+	252.07809142	157.0
[M]-	252.07918858	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe