CID 44370233

Refchem:930330

Structural Information

Molecular Formula

C₁₆H₁₉N₃

SMILES

C1CN1CCN(CC2=CC=CC=C2)C3=CC=CC=N3

InChI

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

InChIKey

BADIZFSNGPTANA-UHFFFAOYSA-N

Compound name

N-[2-(aziridin-1-yl)ethyl]-N-benzylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 729
References: 0
Patents: 253.1579 Da
Monoisotopic Mass: 3.1
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	162.0
[M+Na]+	276.14712	168.9
[M-H]-	252.15062	169.9
[M+NH4]+	271.19172	171.3
[M+K]+	292.12106	164.6
[M+H-H2O]+	236.15516	151.5
[M+HCOO]-	298.15610	185.4
[M+CH3COO]-	312.17175	172.7
[M+Na-2H]-	274.13257	168.9
[M]+	253.15735	163.9
[M]-	253.15845	163.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.