CID 97452

52818-63-0

Structural Information

Molecular Formula

C₁₃H₁₄N₂O

SMILES

COC1=CC=C(C=C1)CNC2=CC=CC=N2

InChI

InChI=1S/C13H14N2O/c1-16-12-7-5-11(6-8-12)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15)

InChIKey

SMJGJENXFSWIMQ-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)methyl]pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 144
Patents: 214.11061 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]+	215.11789	146.6
[M+Na]+	237.09983	153.7
[M-H]-	213.10333	151.8
[M+NH4]+	232.14443	163.3
[M+K]+	253.07377	150.2
[M+H-H2O]+	197.10787	138.1
[M+HCOO]-	259.10881	171.2
[M+CH3COO]-	273.12446	189.7
[M+Na-2H]-	235.08528	155.0
[M]+	214.11006	146.9
[M]-	214.11116	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe