CID 163314

Idropranolol

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

CC(C)NCC(COC1=CC=CC2=C1C=CCC2)O

InChI

InChI=1S/C16H23NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h4-5,7-9,12,14,17-18H,3,6,10-11H2,1-2H3

InChIKey

JKLYFQUDQSQWRB-UHFFFAOYSA-N

Compound name

1-(5,6-dihydronaphthalen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 261.17288 Da
Monoisotopic Mass: 2.7
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]+	262.180156	162.6
[M+Na]+	284.162098	166.2
[M-H]-	260.165604	164.6
[M+NH4]+	279.206703	179.1
[M+K]+	300.136038	163.2
[M+H-H2O]+	244.170140	155.6
[M+HCOO]-	306.171081	181.1
[M+CH3COO]-	320.186731	199.4
[M+Na-2H]-	282.147546	166.0
[M]+	261.17233142	161.6
[M]-	261.17342858	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe