CID 73012381

Allo-1

Structural Information

Molecular Formula

C₁₇H₁₅ClN₂O₂

SMILES

CC1C(=O)N(C(=O)N1CC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2O2/c1-12-16(21)20(15-9-7-14(18)8-10-15)17(22)19(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3

InChIKey

GHAJNZREWTZYQJ-UHFFFAOYSA-N

Compound name

1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 56
Patents: 314.0822 Da
Monoisotopic Mass: 3.4
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]+	315.08948	172.4
[M+Na]+	337.07142	182.6
[M-H]-	313.07492	179.9
[M+NH4]+	332.11602	187.0
[M+K]+	353.04536	175.9
[M+H-H2O]+	297.07946	163.3
[M+HCOO]-	359.08040	188.3
[M+CH3COO]-	373.09605	184.0
[M+Na-2H]-	335.05687	172.2
[M]+	314.08165	174.3
[M]-	314.08275	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe