CID 1789066

N-(4-benzyloxybenzylidene)-3,4-dichloroaniline

Structural Information

Molecular Formula

C₂₀H₁₅Cl₂NO

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H15Cl2NO/c21-19-11-8-17(12-20(19)22)23-13-15-6-9-18(10-7-15)24-14-16-4-2-1-3-5-16/h1-13H,14H2

InChIKey

YHSUQKADQCTZIR-UHFFFAOYSA-N

Compound name

N-(3,4-dichlorophenyl)-1-(4-phenylmethoxyphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 355.05307 Da
Monoisotopic Mass: 5.9
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]+	356.060346	182.4
[M+Na]+	378.042288	191.6
[M-H]-	354.045794	192.2
[M+NH4]+	373.086893	196.7
[M+K]+	394.016228	183.6
[M+H-H2O]+	338.050330	173.7
[M+HCOO]-	400.051271	199.0
[M+CH3COO]-	414.066921	193.6
[M+Na-2H]-	376.027736	186.6
[M]+	355.05252142	187.6
[M]-	355.05361858	187.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.