CID 3043429

55470-07-0

Structural Information

Molecular Formula

C₂₀H₂₄Cl₂N₂O₂

SMILES

CCN(CC)CCOC(=O)C1=CC=CC=C1NC2=C(C=CC(=C2Cl)C)Cl

InChI

InChI=1S/C20H24Cl2N2O2/c1-4-24(5-2)12-13-26-20(25)15-8-6-7-9-17(15)23-19-16(21)11-10-14(3)18(19)22/h6-11,23H,4-5,12-13H2,1-3H3

InChIKey

PLUTVIOAWOUWNM-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2-(2,6-dichloro-3-methylanilino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 394.1215 Da
Monoisotopic Mass: 6.3
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]+	395.128776	194.1
[M+Na]+	417.110718	201.3
[M-H]-	393.114224	201.2
[M+NH4]+	412.155323	207.3
[M+K]+	433.084658	195.5
[M+H-H2O]+	377.118760	186.8
[M+HCOO]-	439.119701	209.0
[M+CH3COO]-	453.135351	228.8
[M+Na-2H]-	415.096166	193.6
[M]+	394.12095142	201.9
[M]-	394.12204858	201.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe