CID 116040

63980-42-7

Structural Information

Molecular Formula

C₁₆H₁₉N₃

SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C16H19N3/c1-2-6-15(7-3-1)14-18-10-12-19(13-11-18)16-8-4-5-9-17-16/h1-9H,10-14H2

InChIKey

PPZUTXLPTNQOFF-UHFFFAOYSA-N

Compound name

1-benzyl-4-pyridin-2-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 47
Patents: 253.1579 Da
Monoisotopic Mass: 2.6
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]+	254.16518	161.9
[M+Na]+	276.14712	177.4
[M+NH4]+	271.19172	170.7
[M+K]+	292.12106	168.1
[M-H]-	252.15062	167.6
[M+Na-2H]-	274.13257	172.9
[M]+	253.15735	165.8
[M]-	253.15845	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe