CID 3042188

Brn 5162160

Structural Information

Molecular Formula

C₂₂H₂₅Cl₂N₃O₃

SMILES

CCN(CC)CC(=O)NC(=O)CN(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C22H25Cl2N3O3/c1-4-27(5-2)14-21(29)25-20(28)13-26(3)19-11-10-15(23)12-17(19)22(30)16-8-6-7-9-18(16)24/h6-12H,4-5,13-14H2,1-3H3,(H,25,28,29)

InChIKey

ALMPDHNJPCFJOP-UHFFFAOYSA-N

Compound name

2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-N-[2-(diethylamino)acetyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 449.1273 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]+	450.134576	207.3
[M+Na]+	472.116518	212.0
[M-H]-	448.120024	215.5
[M+NH4]+	467.161123	218.0
[M+K]+	488.090458	208.0
[M+H-H2O]+	432.124560	199.5
[M+HCOO]-	494.125501	222.0
[M+CH3COO]-	508.141151	243.2
[M+Na-2H]-	470.101966	204.3
[M]+	449.12675142	215.2
[M]-	449.12784858	215.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.