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
1
Annotation Hits

9
References

546
Patents

267.11383 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12111 161.9
[M+Na]+ 290.10305 169.8
[M-H]- 266.10655 167.0
[M+NH4]+ 285.14765 178.8
[M+K]+ 306.07699 165.8
[M+H-H2O]+ 250.11109 153.5
[M+HCOO]- 312.11203 179.0
[M+CH3COO]- 326.12768 201.5
[M+Na-2H]- 288.08850 162.8
[M]+ 267.11328 163.9
[M]- 267.11438 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.