CID 493085

Chembl296288

Structural Information

Molecular Formula
C19H22ClN3O2
SMILES
C1CN(C(=O)N1CCCCCOC2=CC=C(C=C2)Cl)C3=CC=NC=C3
InChI
InChI=1S/C19H22ClN3O2/c20-16-4-6-18(7-5-16)25-15-3-1-2-12-22-13-14-23(19(22)24)17-8-10-21-11-9-17/h4-11H,1-3,12-15H2
InChIKey
FSYNIZBHGBRIOR-UHFFFAOYSA-N
Compound name
1-[5-(4-chlorophenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.14005 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14733 185.7
[M+Na]+ 382.12927 192.6
[M-H]- 358.13277 190.4
[M+NH4]+ 377.17387 196.4
[M+K]+ 398.10321 185.9
[M+H-H2O]+ 342.13731 174.3
[M+HCOO]- 404.13825 199.2
[M+CH3COO]- 418.15390 211.6
[M+Na-2H]- 380.11472 185.7
[M]+ 359.13950 188.4
[M]- 359.14060 188.4
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.