CID 4828

Pindolol

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

CC(C)NCC(COC1=CC=CC2=C1C=CN2)O

InChI

InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3

InChIKey

JZQKKSLKJUAGIC-UHFFFAOYSA-N

Compound name

1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 3993
References: 30110
Patents: 248.15248 Da
Monoisotopic Mass: 1.8
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]+	249.15976	157.8
[M+Na]+	271.14170	163.8
[M-H]-	247.14520	158.2
[M+NH4]+	266.18630	174.9
[M+K]+	287.11564	160.1
[M+H-H2O]+	231.14974	150.9
[M+HCOO]-	293.15068	177.9
[M+CH3COO]-	307.16633	192.9
[M+Na-2H]-	269.12715	161.4
[M]+	248.15193	158.5
[M]-	248.15303	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe