CID 51889

Refchem:460580

Structural Information

Molecular Formula

C₁₃H₁₉ClN₂O₂

SMILES

CCN(CC)CCOC(=O)NC1=CC(=CC=C1)Cl

InChI

InChI=1S/C13H19ClN2O2/c1-3-16(4-2)8-9-18-13(17)15-12-7-5-6-11(14)10-12/h5-7,10H,3-4,8-9H2,1-2H3,(H,15,17)

InChIKey

JPWHECYDSNDVDC-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl N-(3-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 270.1135 Da
Monoisotopic Mass: 3.4
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]+	271.120776	163.0
[M+Na]+	293.102718	168.9
[M-H]-	269.106224	167.5
[M+NH4]+	288.147323	180.4
[M+K]+	309.076658	166.2
[M+H-H2O]+	253.110760	156.4
[M+HCOO]-	315.111701	183.9
[M+CH3COO]-	329.127351	204.2
[M+Na-2H]-	291.088166	166.3
[M]+	270.11295142	168.0
[M]-	270.11404858	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.