CID 113001370

Dtxsid401024839

Structural Information

Molecular Formula

C₁₂H₁₅Cl₂N₃O₂

SMILES

CC(C)NC(=O)NCC(=O)NC1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C12H15Cl2N3O2/c1-7(2)16-12(19)15-6-11(18)17-10-4-8(13)3-9(14)5-10/h3-5,7H,6H2,1-2H3,(H,17,18)(H2,15,16,19)

InChIKey

LGZHPMWZVIUJTN-UHFFFAOYSA-N

Compound name

N-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 303.05414 Da
Monoisotopic Mass: 2.3
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]+	304.061416	168.3
[M+Na]+	326.043358	174.8
[M-H]-	302.046864	171.4
[M+NH4]+	321.087963	184.0
[M+K]+	342.017298	170.1
[M+H-H2O]+	286.051400	163.4
[M+HCOO]-	348.052341	183.4
[M+CH3COO]-	362.067991	208.8
[M+Na-2H]-	324.028806	169.3
[M]+	303.05359142	170.6
[M]-	303.05468858	170.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.