CID 249843

2829-25-6

Structural Information

Molecular Formula

C₁₄H₁₄N₂

SMILES

CC1=CC=C(C=C1)C=NNC2=CC=CC=C2

InChI

InChI=1S/C14H14N2/c1-12-7-9-13(10-8-12)11-15-16-14-5-3-2-4-6-14/h2-11,16H,1H3

InChIKey

HZNMBMPLMOABLX-UHFFFAOYSA-N

Compound name

N-[(4-methylphenyl)methylideneamino]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 210.11569 Da
Monoisotopic Mass: 3.9
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]+	211.12297	145.8
[M+Na]+	233.10491	152.5
[M-H]-	209.10841	153.8
[M+NH4]+	228.14951	164.5
[M+K]+	249.07885	148.7
[M+H-H2O]+	193.11295	137.9
[M+HCOO]-	255.11389	174.0
[M+CH3COO]-	269.12954	194.0
[M+Na-2H]-	231.09036	154.5
[M]+	210.11514	145.0
[M]-	210.11624	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe