CID 493098

Chembl297352

Structural Information

Molecular Formula
C24H27N3O3
SMILES
C1CN(C(=O)N1CCCCCCOC2=CC=C(C=C2)C3=COC=C3)C4=CC=NC=C4
InChI
InChI=1S/C24H27N3O3/c28-24-26(15-16-27(24)22-9-12-25-13-10-22)14-3-1-2-4-17-30-23-7-5-20(6-8-23)21-11-18-29-19-21/h5-13,18-19H,1-4,14-17H2
InChIKey
XCKYVJOOWJBPFQ-UHFFFAOYSA-N
Compound name
1-[6-[4-(furan-3-yl)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.20523 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.21251 197.5
[M+Na]+ 428.19445 202.5
[M-H]- 404.19795 206.4
[M+NH4]+ 423.23905 205.4
[M+K]+ 444.16839 197.9
[M+H-H2O]+ 388.20249 185.8
[M+HCOO]- 450.20343 215.5
[M+CH3COO]- 464.21908 206.0
[M+Na-2H]- 426.17990 195.2
[M]+ 405.20468 200.0
[M]- 405.20578 200.0
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.