CID 493090

Chembl42390

Structural Information

Molecular Formula
C21H27N3O3
SMILES
COC1=CC=C(C=C1)OCCCCCCN2CCN(C2=O)C3=CC=NC=C3
InChI
InChI=1S/C21H27N3O3/c1-26-19-6-8-20(9-7-19)27-17-5-3-2-4-14-23-15-16-24(21(23)25)18-10-12-22-13-11-18/h6-13H,2-5,14-17H2,1H3
InChIKey
UVIQKQRSPKROGH-UHFFFAOYSA-N
Compound name
1-[6-(4-methoxyphenoxy)hexyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.20523 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.21251 190.3
[M+Na]+ 392.19445 195.5
[M-H]- 368.19795 195.1
[M+NH4]+ 387.23905 199.6
[M+K]+ 408.16839 190.5
[M+H-H2O]+ 352.20249 178.4
[M+HCOO]- 414.20343 208.2
[M+CH3COO]- 428.21908 216.0
[M+Na-2H]- 390.17990 190.1
[M]+ 369.20468 193.1
[M]- 369.20578 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.