CID 149013

63637-89-8

Structural Information

Molecular Formula

C₁₃H₁₃Cl₂N₃O₃

SMILES

CC(C)N1C(=O)CN(C1=O)C(=O)NC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C13H13Cl2N3O3/c1-7(2)18-11(19)6-17(13(18)21)12(20)16-10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)

InChIKey

GKJUMTZXIUCPAG-UHFFFAOYSA-N

Compound name

N-(3,5-dichlorophenyl)-2,4-dioxo-3-propan-2-ylimidazolidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 6
Patents: 329.0334 Da
Monoisotopic Mass: 2.5
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]+	330.040676	171.2
[M+Na]+	352.022618	180.9
[M-H]-	328.026124	175.4
[M+NH4]+	347.067223	185.8
[M+K]+	367.996558	175.6
[M+H-H2O]+	312.030660	164.6
[M+HCOO]-	374.031601	181.7
[M+CH3COO]-	388.047251	208.1
[M+Na-2H]-	350.008066	168.9
[M]+	329.03285142	174.0
[M]-	329.03394858	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe