CID 67133

121-22-2

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂O

SMILES

CC1=CC(=C(C=C1N)Cl)NC(=O)C2=CC=CC=C2

InChI

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

InChIKey

OIDXADKOPPNJOB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 35
Patents: 260.07166 Da
Monoisotopic Mass: 3.1
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]+	261.07894	158.3
[M+Na]+	283.06088	166.9
[M-H]-	259.06438	165.0
[M+NH4]+	278.10548	175.4
[M+K]+	299.03482	161.2
[M+H-H2O]+	243.06892	151.8
[M+HCOO]-	305.06986	179.0
[M+CH3COO]-	319.08551	199.9
[M+Na-2H]-	281.04633	162.1
[M]+	260.07111	158.5
[M]-	260.07221	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe