CID 3050093

65808-66-4

Structural Information

Molecular Formula

C₁₈H₁₆Cl₂N₂O₃

SMILES

CC(=O)NCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C18H16Cl2N2O3/c1-11(23)21-10-17(24)22(2)16-8-7-12(19)9-14(16)18(25)13-5-3-4-6-15(13)20/h3-9H,10H2,1-2H3,(H,21,23)

InChIKey

KRGTXXYCEVSDEZ-UHFFFAOYSA-N

Compound name

2-acetamido-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 378.0538 Da
Monoisotopic Mass: 3.2
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]+	379.061076	184.2
[M+Na]+	401.043018	191.5
[M-H]-	377.046524	191.9
[M+NH4]+	396.087623	197.6
[M+K]+	417.016958	186.7
[M+H-H2O]+	361.051060	177.7
[M+HCOO]-	423.052001	198.7
[M+CH3COO]-	437.067651	223.5
[M+Na-2H]-	399.028466	183.6
[M]+	378.05325142	190.0
[M]-	378.05434858	190.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.