CID 5337805

Para-tolualdehyde azine

Structural Information

Molecular Formula

C₁₆H₁₆N₂

SMILES

CC1=CC=C(C=C1)/C=N/N=C/C2=CC=C(C=C2)C

InChI

InChI=1S/C16H16N2/c1-13-3-7-15(8-4-13)11-17-18-12-16-9-5-14(2)6-10-16/h3-12H,1-2H3/b17-11+,18-12+

InChIKey

JDSLSASVXZTPLL-JYFOCSDGSA-N

Compound name

(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 26
Patents: 236.13135 Da
Monoisotopic Mass: 4.0
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]+	237.138626	154.1
[M+Na]+	259.120568	161.6
[M-H]-	235.124074	163.5
[M+NH4]+	254.165173	172.8
[M+K]+	275.094508	157.7
[M+H-H2O]+	219.128610	145.6
[M+HCOO]-	281.129551	183.3
[M+CH3COO]-	295.145201	202.3
[M+Na-2H]-	257.106016	161.3
[M]+	236.13080142	155.4
[M]-	236.13189858	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe