CID 97516

N-benzylidene-o-toluidine

Structural Information

Molecular Formula

C₁₄H₁₃N

SMILES

CC1=CC=CC=C1N=CC2=CC=CC=C2

InChI

InChI=1S/C14H13N/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13/h2-11H,1H3

InChIKey

PUUAIRXOPHLROM-UHFFFAOYSA-N

Compound name

N-(2-methylphenyl)-1-phenylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 195.1048 Da
Monoisotopic Mass: 3.6
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]+	196.11208	141.9
[M+Na]+	218.09402	149.5
[M-H]-	194.09752	150.0
[M+NH4]+	213.13862	161.6
[M+K]+	234.06796	145.8
[M+H-H2O]+	178.10206	134.4
[M+HCOO]-	240.10300	169.1
[M+CH3COO]-	254.11865	189.2
[M+Na-2H]-	216.07947	150.2
[M]+	195.10425	141.8
[M]-	195.10535	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe