CID 7176317

269075-50-5

Structural Information

Molecular Formula

C₁₆H₁₃NO₃

SMILES

COC1=CC=CC2=C1OC(=C2N)C(=O)C3=CC=CC=C3

InChI

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

InChIKey

INMTUPHHOLFIEJ-UHFFFAOYSA-N

Compound name

(3-amino-7-methoxy-1-benzofuran-2-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.08954 Da
Monoisotopic Mass: 3.8
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]+	268.096816	158.8
[M+Na]+	290.078758	168.7
[M-H]-	266.082264	167.9
[M+NH4]+	285.123363	176.4
[M+K]+	306.052698	165.9
[M+H-H2O]+	250.086800	151.8
[M+HCOO]-	312.087741	183.8
[M+CH3COO]-	326.103391	172.5
[M+Na-2H]-	288.064206	164.0
[M]+	267.08899142	162.7
[M]-	267.09008858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.