CID 493089

Chembl295554

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CC1=CC=C(C=C1)OCCCCCCN2CCN(C2=O)C3=CC=NC=C3
InChI
InChI=1S/C21H27N3O2/c1-18-6-8-20(9-7-18)26-17-5-3-2-4-14-23-15-16-24(21(23)25)19-10-12-22-13-11-19/h6-13H,2-5,14-17H2,1H3
InChIKey
ATTBKJVVQFCPMK-UHFFFAOYSA-N
Compound name
1-[6-(4-methylphenoxy)hexyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.21033 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 187.8
[M+Na]+ 376.19955 193.2
[M-H]- 352.20305 192.5
[M+NH4]+ 371.24415 197.9
[M+K]+ 392.17349 187.5
[M+H-H2O]+ 336.20759 176.0
[M+HCOO]- 398.20853 205.4
[M+CH3COO]- 412.22418 214.0
[M+Na-2H]- 374.18500 187.4
[M]+ 353.20978 189.1
[M]- 353.21088 189.1
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.