CID 3777620

2-chloro-n-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

Structural Information

Molecular Formula

C₁₂H₁₂ClN₃O₃

SMILES

CC1(C(=O)N(C(=O)N1)NC(=O)CCl)C2=CC=CC=C2

InChI

InChI=1S/C12H12ClN3O3/c1-12(8-5-3-2-4-6-8)10(18)16(11(19)14-12)15-9(17)7-13/h2-6H,7H2,1H3,(H,14,19)(H,15,17)

InChIKey

JXOPSLIUHKRPAC-UHFFFAOYSA-N

Compound name

2-chloro-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.05673 Da
Monoisotopic Mass: 1.2
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]+	282.064006	159.4
[M+Na]+	304.045948	168.2
[M-H]-	280.049454	162.6
[M+NH4]+	299.090553	176.2
[M+K]+	320.019888	163.2
[M+H-H2O]+	264.053990	152.8
[M+HCOO]-	326.054931	174.9
[M+CH3COO]-	340.070581	195.2
[M+Na-2H]-	302.031396	161.7
[M]+	281.05618142	159.1
[M]-	281.05727858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.