CID 3051475

Brn 0545860

Structural Information

Molecular Formula

C₁₇H₂₆N₂O₂

SMILES

CN1CCN(CC1)CC(COC2=CC=CC3=C2CCC3)O

InChI

InChI=1S/C17H26N2O2/c1-18-8-10-19(11-9-18)12-15(20)13-21-17-7-3-5-14-4-2-6-16(14)17/h3,5,7,15,20H,2,4,6,8-13H2,1H3

InChIKey

JUDYBHRCGQMANA-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1H-inden-4-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.19943 Da
Monoisotopic Mass: 2.0
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]+	291.206706	171.5
[M+Na]+	313.188648	174.9
[M-H]-	289.192154	173.5
[M+NH4]+	308.233253	185.9
[M+K]+	329.162588	171.0
[M+H-H2O]+	273.196690	162.5
[M+HCOO]-	335.197631	184.9
[M+CH3COO]-	349.213281	199.9
[M+Na-2H]-	311.174096	171.1
[M]+	290.19888142	167.5
[M]-	290.19997858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.