CID 204216

Pyridine, 4-(phenethylamino)-

Structural Information

Molecular Formula

C₁₃H₁₄N₂

SMILES

C1=CC=C(C=C1)CCNC2=CC=NC=C2

InChI

InChI=1S/C13H14N2/c1-2-4-12(5-3-1)6-11-15-13-7-9-14-10-8-13/h1-5,7-10H,6,11H2,(H,14,15)

InChIKey

SYEYBZWRMMNJAY-UHFFFAOYSA-N

Compound name

N-(2-phenylethyl)pyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 198.11569 Da
Monoisotopic Mass: 2.8
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]+	199.12297	142.9
[M+Na]+	221.10491	149.2
[M-H]-	197.10841	147.8
[M+NH4]+	216.14951	160.1
[M+K]+	237.07885	145.1
[M+H-H2O]+	181.11295	134.5
[M+HCOO]-	243.11389	167.4
[M+CH3COO]-	257.12954	155.4
[M+Na-2H]-	219.09036	152.2
[M]+	198.11514	141.4
[M]-	198.11624	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe