CID 493112

Chembl44596

Structural Information

Molecular Formula
C21H26ClN3O2
SMILES
C1CN(C(=O)N1CCCCCCCOC2=CC=C(C=C2)Cl)C3=CN=CC=C3
InChI
InChI=1S/C21H26ClN3O2/c22-18-8-10-20(11-9-18)27-16-5-3-1-2-4-13-24-14-15-25(21(24)26)19-7-6-12-23-17-19/h6-12,17H,1-5,13-16H2
InChIKey
QSDBQHXRKULKGH-UHFFFAOYSA-N
Compound name
1-[7-(4-chlorophenoxy)heptyl]-3-pyridin-3-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.17136 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17864 194.4
[M+Na]+ 410.16058 200.4
[M-H]- 386.16408 198.8
[M+NH4]+ 405.20518 203.9
[M+K]+ 426.13452 193.3
[M+H-H2O]+ 370.16862 182.6
[M+HCOO]- 432.16956 207.3
[M+CH3COO]- 446.18521 217.4
[M+Na-2H]- 408.14603 193.4
[M]+ 387.17081 197.7
[M]- 387.17191 197.7
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.