CID 525682

N-(4-chlorobenzylidene)-p-phenetidine

Structural Information

Molecular Formula

C₁₅H₁₄ClNO

SMILES

CCOC1=CC=C(C=C1)N=CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H14ClNO/c1-2-18-15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h3-11H,2H2,1H3

InChIKey

VZUYGOJTZOHTOE-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.0764 Da
Monoisotopic Mass: 4.2
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]+	260.083676	157.5
[M+Na]+	282.065618	166.3
[M-H]-	258.069124	165.5
[M+NH4]+	277.110223	175.7
[M+K]+	298.039558	161.1
[M+H-H2O]+	242.073660	150.3
[M+HCOO]-	304.074601	179.9
[M+CH3COO]-	318.090251	199.0
[M+Na-2H]-	280.051066	163.8
[M]+	259.07585142	161.7
[M]-	259.07694858	161.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.