CID 52259

73713-58-3

Structural Information

Molecular Formula

C₁₄H₁₉Cl₂NO₂

SMILES

CCN(CC)C(C)COC(=O)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C14H19Cl2NO2/c1-4-17(5-2)10(3)9-19-14(18)12-7-6-11(15)8-13(12)16/h6-8,10H,4-5,9H2,1-3H3

InChIKey

UCEKKJSZROFKSS-UHFFFAOYSA-N

Compound name

2-(diethylamino)propyl 2,4-dichlorobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.07928 Da
Monoisotopic Mass: 4.6
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]+	304.086556	167.0
[M+Na]+	326.068498	174.5
[M-H]-	302.072004	171.2
[M+NH4]+	321.113103	184.2
[M+K]+	342.042438	170.6
[M+H-H2O]+	286.076540	162.1
[M+HCOO]-	348.077481	180.7
[M+CH3COO]-	362.093131	209.2
[M+Na-2H]-	324.053946	167.2
[M]+	303.07873142	174.2
[M]-	303.07982858	174.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.