CID 57576727

Chembl3542350

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

CO/N=C/C1=CC=C(C=C1)C2=CC=CC=N2

InChI

InChI=1S/C13H12N2O/c1-16-15-10-11-5-7-12(8-6-11)13-4-2-3-9-14-13/h2-10H,1H3/b15-10+

InChIKey

JJBDYLYYWIQBQY-XNTDXEJSSA-N

Compound name

(E)-N-methoxy-1-(4-pyridin-2-ylphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 212.09496 Da
Monoisotopic Mass: 2.7
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]+	213.10224	145.5
[M+Na]+	235.08418	153.4
[M-H]-	211.08768	152.2
[M+NH4]+	230.12878	163.1
[M+K]+	251.05812	150.3
[M+H-H2O]+	195.09222	136.8
[M+HCOO]-	257.09316	171.9
[M+CH3COO]-	271.10881	190.8
[M+Na-2H]-	233.06963	154.4
[M]+	212.09441	146.9
[M]-	212.09551	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe