CID 4990418

N-benzylidene-4-ethylaniline

Structural Information

Molecular Formula

C₁₅H₁₅N

SMILES

CCC1=CC=C(C=C1)N=CC2=CC=CC=C2

InChI

InChI=1S/C15H15N/c1-2-13-8-10-15(11-9-13)16-12-14-6-4-3-5-7-14/h3-12H,2H2,1H3

InChIKey

GYHJPSGELDVDCC-UHFFFAOYSA-N

Compound name

N-(4-ethylphenyl)-1-phenylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 209.12045 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]+	210.127726	146.6
[M+Na]+	232.109668	153.7
[M-H]-	208.113174	154.5
[M+NH4]+	227.154273	165.7
[M+K]+	248.083608	149.8
[M+H-H2O]+	192.117710	138.9
[M+HCOO]-	254.118651	173.4
[M+CH3COO]-	268.134301	192.2
[M+Na-2H]-	230.095116	154.3
[M]+	209.11990142	146.8
[M]-	209.12099858	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe