CID 493111

Chembl44969

Structural Information

Molecular Formula
C20H24ClN3O2
SMILES
C1CN(C(=O)N1CCCCCCOC2=CC=C(C=C2)Cl)C3=CN=CC=C3
InChI
InChI=1S/C20H24ClN3O2/c21-17-7-9-19(10-8-17)26-15-4-2-1-3-12-23-13-14-24(20(23)25)18-6-5-11-22-16-18/h5-11,16H,1-4,12-15H2
InChIKey
NRDVJIXLWJBMCA-UHFFFAOYSA-N
Compound name
1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-3-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.1557 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16298 190.1
[M+Na]+ 396.14492 196.6
[M-H]- 372.14842 194.6
[M+NH4]+ 391.18952 200.2
[M+K]+ 412.11886 189.6
[M+H-H2O]+ 356.15296 178.5
[M+HCOO]- 418.15390 203.3
[M+CH3COO]- 432.16955 214.5
[M+Na-2H]- 394.13037 189.6
[M]+ 373.15515 193.1
[M]- 373.15625 193.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.