CID 678635

N-(2-chlorophenyl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula

C₁₆H₁₆ClNO₄

SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C16H16ClNO4/c1-20-13-8-10(9-14(21-2)15(13)22-3)16(19)18-12-7-5-4-6-11(12)17/h4-9H,1-3H3,(H,18,19)

InChIKey

XXKFIILUUJFHPS-UHFFFAOYSA-N

Compound name

N-(2-chlorophenyl)-3,4,5-trimethoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 321.07678 Da
Monoisotopic Mass: 3.3
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]+	322.084056	170.3
[M+Na]+	344.065998	179.4
[M-H]-	320.069504	177.7
[M+NH4]+	339.110603	185.6
[M+K]+	360.039938	175.7
[M+H-H2O]+	304.074040	163.2
[M+HCOO]-	366.074981	190.6
[M+CH3COO]-	380.090631	209.0
[M+Na-2H]-	342.051446	173.3
[M]+	321.07623142	177.6
[M]-	321.07732858	177.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.