CID 71955

Indenolol

Structural Information

Molecular Formula

C₁₅H₂₁NO₂

SMILES

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

InChI

InChI=1S/C15H21NO2/c1-11(2)16-9-13(17)10-18-15-8-4-6-12-5-3-7-14(12)15/h3-4,6-8,11,13,16-17H,5,9-10H2,1-2H3

InChIKey

MPGBPFMOOXKQRX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 41
References: 6985
Patents: 247.15723 Da
Monoisotopic Mass: 2.4
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]+	248.164506	159.5
[M+Na]+	270.146448	164.5
[M-H]-	246.149954	162.2
[M+NH4]+	265.191053	178.6
[M+K]+	286.120388	161.7
[M+H-H2O]+	230.154490	153.2
[M+HCOO]-	292.155431	180.6
[M+CH3COO]-	306.171081	195.9
[M+Na-2H]-	268.131896	162.0
[M]+	247.15668142	160.4
[M]-	247.15777858	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe