CID 68892

Mindodilol

Structural Information

Molecular Formula

C₂₃H₂₈N₂O₃

SMILES

C1CN(CCC1COC2=CC=CC=C2)CC(COC3=CC=CC4=C3C=CN4)O

InChI

InChI=1S/C23H28N2O3/c26-19(17-28-23-8-4-7-22-21(23)9-12-24-22)15-25-13-10-18(11-14-25)16-27-20-5-2-1-3-6-20/h1-9,12,18-19,24,26H,10-11,13-17H2

InChIKey

ARFNSMYWLYZEPU-UHFFFAOYSA-N

Compound name

1-(1H-indol-4-yloxy)-3-[4-(phenoxymethyl)piperidin-1-yl]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 132
Patents: 380.21 Da
Monoisotopic Mass: 3.8
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]+	381.217276	190.8
[M+Na]+	403.199218	193.9
[M-H]-	379.202724	194.8
[M+NH4]+	398.243823	200.1
[M+K]+	419.173158	187.6
[M+H-H2O]+	363.207260	180.0
[M+HCOO]-	425.208201	204.8
[M+CH3COO]-	439.223851	197.9
[M+Na-2H]-	401.184666	191.3
[M]+	380.20945142	188.5
[M]-	380.21054858	188.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe