CID 16226928

3-(2-chloroacetamido)-n,n-diethylbenzamide

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O₂

SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CCl

InChI

InChI=1S/C13H17ClN2O2/c1-3-16(4-2)13(18)10-6-5-7-11(8-10)15-12(17)9-14/h5-8H,3-4,9H2,1-2H3,(H,15,17)

InChIKey

QXCDNGZFLXCDTR-UHFFFAOYSA-N

Compound name

3-[(2-chloroacetyl)amino]-N,N-diethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.09787 Da
Monoisotopic Mass: 1.9
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]+	269.105146	161.9
[M+Na]+	291.087088	167.9
[M-H]-	267.090594	166.6
[M+NH4]+	286.131693	179.3
[M+K]+	307.061028	165.1
[M+H-H2O]+	251.095130	155.6
[M+HCOO]-	313.096071	182.1
[M+CH3COO]-	327.111721	204.2
[M+Na-2H]-	289.072536	164.1
[M]+	268.09732142	165.6
[M]-	268.09841858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.