CID 9554956

Nsc213561

Structural Information

Molecular Formula

C₁₅H₁₂Cl₂N₂O₂

SMILES

COC1=CC=C(C=C1)C(=O)N/N=C/C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C15H12Cl2N2O2/c1-21-11-7-5-10(6-8-11)15(20)19-18-9-12-13(16)3-2-4-14(12)17/h2-9H,1H3,(H,19,20)/b18-9+

InChIKey

DKRMZWSFEMIMQX-GIJQJNRQSA-N

Compound name

N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 322.0276 Da
Monoisotopic Mass: 4.1
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]+	323.034876	171.0
[M+Na]+	345.016818	180.2
[M-H]-	321.020324	178.6
[M+NH4]+	340.061423	186.9
[M+K]+	360.990758	174.2
[M+H-H2O]+	305.024860	164.4
[M+HCOO]-	367.025801	188.7
[M+CH3COO]-	381.041451	210.8
[M+Na-2H]-	343.002266	174.9
[M]+	322.02705142	176.4
[M]-	322.02814858	176.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.