CID 493102

Chembl288103

Structural Information

Molecular Formula
C20H23Cl2N3O2
SMILES
C1CN(C(=O)N1CCCCCCOC2=C(C=CC=C2Cl)Cl)C3=CC=NC=C3
InChI
InChI=1S/C20H23Cl2N3O2/c21-17-6-5-7-18(22)19(17)27-15-4-2-1-3-12-24-13-14-25(20(24)26)16-8-10-23-11-9-16/h5-11H,1-4,12-15H2
InChIKey
BEFYAVDDBXJQRF-UHFFFAOYSA-N
Compound name
1-[6-(2,6-dichlorophenoxy)hexyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.11673 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.12401 196.1
[M+Na]+ 430.10595 203.7
[M-H]- 406.10945 200.1
[M+NH4]+ 425.15055 205.6
[M+K]+ 446.07989 195.9
[M+H-H2O]+ 390.11399 184.8
[M+HCOO]- 452.11493 204.0
[M+CH3COO]- 466.13058 219.7
[M+Na-2H]- 428.09140 194.1
[M]+ 407.11618 200.5
[M]- 407.11728 200.5
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.