CID 3044998

58013-04-0

Structural Information

Molecular Formula

C₁₇H₂₁N₃O

SMILES

C1CN(CCN1CC(C2=CC=NC=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O/c21-17(15-6-8-18-9-7-15)14-19-10-12-20(13-11-19)16-4-2-1-3-5-16/h1-9,17,21H,10-14H2

InChIKey

GJGCCLWHKBPPIJ-UHFFFAOYSA-N

Compound name

2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 283.16846 Da
Monoisotopic Mass: 1.6
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]+	284.175736	168.4
[M+Na]+	306.157678	171.9
[M-H]-	282.161184	171.1
[M+NH4]+	301.202283	178.0
[M+K]+	322.131618	166.5
[M+H-H2O]+	266.165720	156.9
[M+HCOO]-	328.166661	182.2
[M+CH3COO]-	342.182311	176.6
[M+Na-2H]-	304.143126	172.0
[M]+	283.16791142	162.2
[M]-	283.16900858	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe