CID 3080011

126921-32-2

Structural Information

Molecular Formula

C₂₁H₂₃N₃O

SMILES

C1CN(CCN1CC(C2=NC3=CC=CC=C3C=C2)O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O/c25-21(20-11-10-17-6-4-5-9-19(17)22-20)16-23-12-14-24(15-13-23)18-7-2-1-3-8-18/h1-11,21,25H,12-16H2

InChIKey

BSZPDHKQIPAISQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 333.1841 Da
Monoisotopic Mass: 3.0
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]+	334.191376	181.5
[M+Na]+	356.173318	185.5
[M-H]-	332.176824	185.0
[M+NH4]+	351.217923	190.0
[M+K]+	372.147258	178.5
[M+H-H2O]+	316.181360	169.2
[M+HCOO]-	378.182301	193.6
[M+CH3COO]-	392.197951	188.8
[M+Na-2H]-	354.158766	185.3
[M]+	333.18355142	175.6
[M]-	333.18464858	175.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.