CID 23728

Imidoline

Structural Information

Molecular Formula

C₁₃H₁₈ClN₃O

SMILES

CN(C)CCN1CCN(C1=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H18ClN3O/c1-15(2)6-7-16-8-9-17(13(16)18)12-5-3-4-11(14)10-12/h3-5,10H,6-9H2,1-2H3

InChIKey

KACVTTZEMNWITH-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 552
Patents: 267.11383 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]+	268.121106	161.9
[M+Na]+	290.103048	169.8
[M-H]-	266.106554	167.0
[M+NH4]+	285.147653	178.8
[M+K]+	306.076988	165.8
[M+H-H2O]+	250.111090	153.5
[M+HCOO]-	312.112031	179.0
[M+CH3COO]-	326.127681	201.5
[M+Na-2H]-	288.088496	162.8
[M]+	267.11328142	163.9
[M]-	267.11437858	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe