CID 200790

2725-15-7

Structural Information

Molecular Formula

C₂₀H₂₆N₂O₃

SMILES

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

InChI

InChI=1S/C20H26N2O3/c1-24-19-9-7-17(8-10-19)22-13-11-21(12-14-22)15-18(23)16-25-20-5-3-2-4-6-20/h2-10,18,23H,11-16H2,1H3

InChIKey

ZNKPGVIGPRQBRP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 342.19434 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]+	343.20162	183.3
[M+Na]+	365.18356	186.1
[M-H]-	341.18706	187.3
[M+NH4]+	360.22816	192.0
[M+K]+	381.15750	181.7
[M+H-H2O]+	325.19160	172.0
[M+HCOO]-	387.19254	197.9
[M+CH3COO]-	401.20819	209.0
[M+Na-2H]-	363.16901	184.6
[M]+	342.19379	180.8
[M]-	342.19489	180.8

Literature stripe

literature stripe

Patent stripe

patents stripe