CID 86059

Ucb 1486

Structural Information

Molecular Formula

C₂₃H₃₁ClN₂O₃

SMILES

C1CN(CCN1CCOCCO)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H31ClN2O3/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)29-18-15-26-12-10-25(11-13-26)14-17-28-19-16-27/h1-9,23,27H,10-19H2

InChIKey

WYAFTWOVSUXOHX-UHFFFAOYSA-N

Compound name

2-[2-[4-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 418.20233 Da
Monoisotopic Mass: 2.9
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]+	419.209606	201.1
[M+Na]+	441.191548	203.2
[M-H]-	417.195054	204.3
[M+NH4]+	436.236153	207.6
[M+K]+	457.165488	196.8
[M+H-H2O]+	401.199590	189.5
[M+HCOO]-	463.200531	210.0
[M+CH3COO]-	477.216181	221.2
[M+Na-2H]-	439.176996	200.5
[M]+	418.20178142	201.9
[M]-	418.20287858	201.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.