CID 2309

Befunolol

Structural Information

Molecular Formula

C₁₆H₂₁NO₄

SMILES

CC(C)NCC(COC1=CC=CC2=C1OC(=C2)C(=O)C)O

InChI

InChI=1S/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3

InChIKey

ZPQPDBIHYCBNIG-UHFFFAOYSA-N

Compound name

1-[7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 111
References: 5936
Patents: 291.14706 Da
Monoisotopic Mass: 2.0
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]+	292.154336	169.3
[M+Na]+	314.136278	175.5
[M-H]-	290.139784	173.3
[M+NH4]+	309.180883	185.3
[M+K]+	330.110218	174.4
[M+H-H2O]+	274.144320	162.9
[M+HCOO]-	336.145261	190.0
[M+CH3COO]-	350.160911	204.4
[M+Na-2H]-	312.121726	171.2
[M]+	291.14651142	174.5
[M]-	291.14760858	174.5

Literature stripe

literature stripe

Patent stripe

patents stripe