CID 6481532

2-amino-5-chloro-n-(4-methylphenyl)benzamide

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂O

SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)N

InChI

InChI=1S/C14H13ClN2O/c1-9-2-5-11(6-3-9)17-14(18)12-8-10(15)4-7-13(12)16/h2-8H,16H2,1H3,(H,17,18)

InChIKey

QGOWUYMDDLANDV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.07166 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]+	261.078936	158.3
[M+Na]+	283.060878	166.9
[M-H]-	259.064384	165.0
[M+NH4]+	278.105483	175.4
[M+K]+	299.034818	161.2
[M+H-H2O]+	243.068920	151.8
[M+HCOO]-	305.069861	179.0
[M+CH3COO]-	319.085511	199.9
[M+Na-2H]-	281.046326	162.1
[M]+	260.07111142	158.5
[M]-	260.07220858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.