CID 203034

13694-54-7

Structural Information

Molecular Formula

C₁₈H₂₃N₃O

SMILES

COC(CN1CCN(CC1)C2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H23N3O/c1-22-17(16-7-3-2-4-8-16)15-20-11-13-21(14-12-20)18-9-5-6-10-19-18/h2-10,17H,11-15H2,1H3

InChIKey

DAJOREYDWCDJTG-UHFFFAOYSA-N

Compound name

1-(2-methoxy-2-phenylethyl)-4-pyridin-2-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 297.1841 Da
Monoisotopic Mass: 2.5
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]+	298.191376	172.7
[M+Na]+	320.173318	176.2
[M-H]-	296.176824	176.5
[M+NH4]+	315.217923	182.4
[M+K]+	336.147258	171.4
[M+H-H2O]+	280.181360	160.6
[M+HCOO]-	342.182301	187.6
[M+CH3COO]-	356.197951	181.1
[M+Na-2H]-	318.158766	176.2
[M]+	297.18355142	168.6
[M]-	297.18464858	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe