CID 3075646

194099-59-7

Structural Information

Molecular Formula

C₂₃H₂₈N₂O₃

SMILES

CCC1=C(OC2=CC=CC=C21)C(CN3CCN(CC3)C4=CC=CC=C4OC)O

InChI

InChI=1S/C23H28N2O3/c1-3-17-18-8-4-6-10-21(18)28-23(17)20(26)16-24-12-14-25(15-13-24)19-9-5-7-11-22(19)27-2/h4-11,20,26H,3,12-16H2,1-2H3

InChIKey

IELDJKBQVGGAEG-UHFFFAOYSA-N

Compound name

1-(3-ethyl-1-benzofuran-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 380.21 Da
Monoisotopic Mass: 3.9
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]+	381.217276	193.6
[M+Na]+	403.199218	199.3
[M-H]-	379.202724	200.5
[M+NH4]+	398.243823	203.0
[M+K]+	419.173158	194.8
[M+H-H2O]+	363.207260	183.2
[M+HCOO]-	425.208201	208.2
[M+CH3COO]-	439.223851	202.2
[M+Na-2H]-	401.184666	193.3
[M]+	380.20945142	194.6
[M]-	380.21054858	194.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.