CID 3051473

Brn 0557006

Structural Information

Molecular Formula

C₁₈H₂₈N₂O₃

SMILES

C1CC2=C(C1)C(=CC=C2)OCC(CN3CCN(CC3)CCO)O

InChI

InChI=1S/C18H28N2O3/c21-12-11-19-7-9-20(10-8-19)13-16(22)14-23-18-6-2-4-15-3-1-5-17(15)18/h2,4,6,16,21-22H,1,3,5,7-14H2

InChIKey

UKPUBHVJAPDNPP-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1H-inden-4-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 320.21 Da
Monoisotopic Mass: 1.3
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]+	321.217276	178.4
[M+Na]+	343.199218	180.6
[M-H]-	319.202724	178.8
[M+NH4]+	338.243823	190.7
[M+K]+	359.173158	176.4
[M+H-H2O]+	303.207260	169.4
[M+HCOO]-	365.208201	190.0
[M+CH3COO]-	379.223851	202.5
[M+Na-2H]-	341.184666	177.3
[M]+	320.20945142	174.4
[M]-	320.21054858	174.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.