CID 60130

106321-35-1

Structural Information

Molecular Formula

C₁₄H₁₉ClN₂O₂

SMILES

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

InChI

InChI=1S/C14H19ClN2O2/c1-3-16(4-2)14(19)11-17(13(18)10-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3

InChIKey

JYLLMBJNBRRGGA-UHFFFAOYSA-N

Compound name

2-(N-(2-chloroacetyl)anilino)-N,N-diethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 282.1135 Da
Monoisotopic Mass: 1.6
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]+	283.120776	166.8
[M+Na]+	305.102718	171.6
[M-H]-	281.106224	172.4
[M+NH4]+	300.147323	184.0
[M+K]+	321.076658	169.9
[M+H-H2O]+	265.110760	159.9
[M+HCOO]-	327.111701	187.2
[M+CH3COO]-	341.127351	209.5
[M+Na-2H]-	303.088166	168.4
[M]+	282.11295142	171.8
[M]-	282.11404858	171.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe