CID 710659

N-(4-bromo-3-methylphenyl)-4-methoxybenzamide

Structural Information

Molecular Formula

C₁₅H₁₄BrNO₂

SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)OC)Br

InChI

InChI=1S/C15H14BrNO2/c1-10-9-12(5-8-14(10)16)17-15(18)11-3-6-13(19-2)7-4-11/h3-9H,1-2H3,(H,17,18)

InChIKey

NBPJLIZBSDOIQS-UHFFFAOYSA-N

Compound name

N-(4-bromo-3-methylphenyl)-4-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 319.02078 Da
Monoisotopic Mass: 4.4
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]+	320.028056	164.3
[M+Na]+	342.009998	174.8
[M-H]-	318.013504	173.6
[M+NH4]+	337.054603	182.2
[M+K]+	357.983938	163.2
[M+H-H2O]+	302.018040	162.5
[M+HCOO]-	364.018981	186.1
[M+CH3COO]-	378.034631	205.7
[M+Na-2H]-	339.995446	169.5
[M]+	319.02023142	184.0
[M]-	319.02132858	184.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.