CID 280009

66307-62-8

Structural Information

Molecular Formula

C₂₀H₂₅ClN₂O₃

SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H25ClN2O3/c1-25-19-8-4-17(5-9-19)23-12-10-22(11-13-23)14-18(24)15-26-20-6-2-16(21)3-7-20/h2-9,18,24H,10-15H2,1H3

InChIKey

BOBFMTXLDXLPHI-UHFFFAOYSA-N

Compound name

1-(4-chlorophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 376.15536 Da
Monoisotopic Mass: 3.5
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]+	377.162636	188.7
[M+Na]+	399.144578	193.2
[M-H]-	375.148084	192.9
[M+NH4]+	394.189183	197.3
[M+K]+	415.118518	187.4
[M+H-H2O]+	359.152620	178.0
[M+HCOO]-	421.153561	198.7
[M+CH3COO]-	435.169211	213.7
[M+Na-2H]-	397.130026	188.9
[M]+	376.15481142	189.0
[M]-	376.15590858	189.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.