CID 3059129

76167-42-5

Structural Information

Molecular Formula

C₁₆H₂₀N₄

SMILES

C1CN(CCC1NC2=NC=CC=N2)CC3=CC=CC=C3

InChI

InChI=1S/C16H20N4/c1-2-5-14(6-3-1)13-20-11-7-15(8-12-20)19-16-17-9-4-10-18-16/h1-6,9-10,15H,7-8,11-13H2,(H,17,18,19)

InChIKey

OATGOOHGVPUVME-UHFFFAOYSA-N

Compound name

N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 5
Patents: 268.1688 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]+	269.17608	163.5
[M+Na]+	291.15802	167.5
[M-H]-	267.16152	167.5
[M+NH4]+	286.20262	174.3
[M+K]+	307.13196	161.9
[M+H-H2O]+	251.16606	151.6
[M+HCOO]-	313.16700	181.0
[M+CH3COO]-	327.18265	172.5
[M+Na-2H]-	289.14347	169.9
[M]+	268.16825	157.3
[M]-	268.16935	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe