CID 9575478

O-anisaldehyde, azine

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₂

SMILES

COC1=CC=CC=C1/C=N/N=C/C2=CC=CC=C2OC

InChI

InChI=1S/C16H16N2O2/c1-19-15-9-5-3-7-13(15)11-17-18-12-14-8-4-6-10-16(14)20-2/h3-12H,1-2H3/b17-11+,18-12+

InChIKey

LFZBMHONPSOTMH-JYFOCSDGSA-N

Compound name

(E)-1-(2-methoxyphenyl)-N-[(E)-(2-methoxyphenyl)methylideneamino]methanimine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 268.1212 Da
Monoisotopic Mass: 3.2
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]+	269.128476	160.7
[M+Na]+	291.110418	168.1
[M-H]-	267.113924	170.2
[M+NH4]+	286.155023	177.9
[M+K]+	307.084358	165.3
[M+H-H2O]+	251.118460	151.7
[M+HCOO]-	313.119401	190.3
[M+CH3COO]-	327.135051	206.4
[M+Na-2H]-	289.095866	167.9
[M]+	268.12065142	164.8
[M]-	268.12174858	164.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.