CID 80727

Benzamide, n-(4-amino-5-chloro-2-methoxyphenyl)-

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂O₂

SMILES

COC1=C(C=C(C(=C1)N)Cl)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H13ClN2O2/c1-19-13-8-11(16)10(15)7-12(13)17-14(18)9-5-3-2-4-6-9/h2-8H,16H2,1H3,(H,17,18)

InChIKey

VIUTVHGOAOMQHY-UHFFFAOYSA-N

Compound name

N-(4-amino-5-chloro-2-methoxyphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 59
Patents: 276.06656 Da
Monoisotopic Mass: 2.7
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]+	277.07384	161.1
[M+Na]+	299.05578	174.9
[M+NH4]+	294.10038	169.3
[M+K]+	315.02972	167.6
[M-H]-	275.05928	166.2
[M+Na-2H]-	297.04123	169.6
[M]+	276.06601	164.7
[M]-	276.06711	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe