CID 4713

167869-21-8

Structural Information

Molecular Formula

C₁₆H₁₃NO₃

SMILES

COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3

InChIKey

QFWCYNPOPKQOKV-UHFFFAOYSA-N

Compound name

2-(2-amino-3-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5804
References: 2492
Patents: 267.08954 Da
Monoisotopic Mass: 2.9
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]+	268.09682	158.7
[M+Na]+	290.07876	169.0
[M-H]-	266.08226	167.6
[M+NH4]+	285.12336	174.7
[M+K]+	306.05270	165.9
[M+H-H2O]+	250.08680	150.7
[M+HCOO]-	312.08774	182.4
[M+CH3COO]-	326.10339	172.1
[M+Na-2H]-	288.06421	166.1
[M]+	267.08899	161.4
[M]-	267.09009	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe