CID 64878

Hydrocinnamamide, n-benzyl-m-chloro-

Structural Information

Molecular Formula

C₁₆H₁₆ClNO

SMILES

C1=CC=C(C=C1)CNC(=O)CCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H16ClNO/c17-15-8-4-7-13(11-15)9-10-16(19)18-12-14-5-2-1-3-6-14/h1-8,11H,9-10,12H2,(H,18,19)

InChIKey

VPKDKROSSIUKNR-UHFFFAOYSA-N

Compound name

N-benzyl-3-(3-chlorophenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.09204 Da
Monoisotopic Mass: 3.6
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]+	274.099316	162.5
[M+Na]+	296.081258	169.2
[M-H]-	272.084764	168.6
[M+NH4]+	291.125863	179.0
[M+K]+	312.055198	163.3
[M+H-H2O]+	256.089300	155.4
[M+HCOO]-	318.090241	182.1
[M+CH3COO]-	332.105891	199.1
[M+Na-2H]-	294.066706	167.4
[M]+	273.09149142	164.2
[M]-	273.09258858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.