CID 299597

2003-42-1

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O

SMILES

C1CN(C(=O)N1CCCl)C2=CC=CC=C2

InChI

InChI=1S/C11H13ClN2O/c12-6-7-13-8-9-14(11(13)15)10-4-2-1-3-5-10/h1-5H,6-9H2

InChIKey

CPABMYBYUQIWGP-UHFFFAOYSA-N

Compound name

1-(2-chloroethyl)-3-phenylimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 224.07164 Da
Monoisotopic Mass: 1.7
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]+	225.07892	148.9
[M+Na]+	247.06086	157.5
[M-H]-	223.06436	152.4
[M+NH4]+	242.10546	167.0
[M+K]+	263.03480	152.8
[M+H-H2O]+	207.06890	141.0
[M+HCOO]-	269.06984	165.1
[M+CH3COO]-	283.08549	186.2
[M+Na-2H]-	245.04631	151.8
[M]+	224.07109	149.1
[M]-	224.07219	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe