CID 71213

Moprolol

Structural Information

Molecular Formula

C₁₃H₂₁NO₃

SMILES

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

InChI

InChI=1S/C13H21NO3/c1-10(2)14-8-11(15)9-17-13-7-5-4-6-12(13)16-3/h4-7,10-11,14-15H,8-9H2,1-3H3

InChIKey

LFTFGCDECFPSQD-UHFFFAOYSA-N

Compound name

1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 17
References: 3937
Patents: 239.15215 Da
Monoisotopic Mass: 1.7
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]+	240.15943	156.9
[M+Na]+	262.14137	161.4
[M-H]-	238.14487	158.6
[M+NH4]+	257.18597	173.4
[M+K]+	278.11531	160.2
[M+H-H2O]+	222.14941	150.1
[M+HCOO]-	284.15035	178.3
[M+CH3COO]-	298.16600	194.6
[M+Na-2H]-	260.12682	159.4
[M]+	239.15160	159.0
[M]-	239.15270	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe