CID 71698

Mepindolol

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₂

SMILES

CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)C)O

InChI

InChI=1S/C15H22N2O2/c1-10(2)16-8-12(18)9-19-15-6-4-5-14-13(15)7-11(3)17-14/h4-7,10,12,16-18H,8-9H2,1-3H3

InChIKey

NXWGWUVGUSFQJC-UHFFFAOYSA-N

Compound name

1-[(2-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 79
References: 8643
Patents: 262.16812 Da
Monoisotopic Mass: 2.3
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]+	263.17540	162.6
[M+Na]+	285.15734	169.1
[M-H]-	261.16084	163.3
[M+NH4]+	280.20194	179.4
[M+K]+	301.13128	165.2
[M+H-H2O]+	245.16538	155.8
[M+HCOO]-	307.16632	182.3
[M+CH3COO]-	321.18197	197.1
[M+Na-2H]-	283.14279	165.0
[M]+	262.16757	164.1
[M]-	262.16867	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe