CID 214029

27588-38-1

Structural Information

Molecular Formula

C₂₆H₃₆N₂O₃

SMILES

CCOC(CC1=CC=CC=C1)N2CCN(CC2)CCC(C3=CC=C(C=C3)OCC=C)O

InChI

InChI=1S/C26H36N2O3/c1-3-20-31-24-12-10-23(11-13-24)25(29)14-15-27-16-18-28(19-17-27)26(30-4-2)21-22-8-6-5-7-9-22/h3,5-13,25-26,29H,1,4,14-21H2,2H3

InChIKey

HHPKENYJMQZXCW-UHFFFAOYSA-N

Compound name

3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-prop-2-enoxyphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 424.27258 Da
Monoisotopic Mass: 4.2
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]+	425.279856	208.1
[M+Na]+	447.261798	208.0
[M-H]-	423.265304	210.9
[M+NH4]+	442.306403	213.1
[M+K]+	463.235738	202.4
[M+H-H2O]+	407.269840	195.8
[M+HCOO]-	469.270781	219.7
[M+CH3COO]-	483.286431	226.6
[M+Na-2H]-	445.247246	205.2
[M]+	424.27203142	206.2
[M]-	424.27312858	206.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.