CID 28722906

5-amino-n-benzyl-2-chloro-n-ethylbenzamide

Structural Information

Molecular Formula

C₁₆H₁₇ClN₂O

SMILES

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

InChI

InChI=1S/C16H17ClN2O/c1-2-19(11-12-6-4-3-5-7-12)16(20)14-10-13(18)8-9-15(14)17/h3-10H,2,11,18H2,1H3

InChIKey

AEJKTUVFAFYFBB-UHFFFAOYSA-N

Compound name

5-amino-N-benzyl-2-chloro-N-ethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.10294 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]+	289.110216	167.5
[M+Na]+	311.092158	174.4
[M-H]-	287.095664	174.9
[M+NH4]+	306.136763	183.7
[M+K]+	327.066098	169.6
[M+H-H2O]+	271.100200	160.1
[M+HCOO]-	333.101141	188.0
[M+CH3COO]-	347.116791	208.0
[M+Na-2H]-	309.077606	170.2
[M]+	288.10239142	169.3
[M]-	288.10348858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.