CID 493120

Chembl44929

Structural Information

Molecular Formula
C19H23ClN4O2
SMILES
C1CN(C(=O)N1CCCCCCOC2=CC=C(C=C2)Cl)C3=NC=NC=C3
InChI
InChI=1S/C19H23ClN4O2/c20-16-5-7-17(8-6-16)26-14-4-2-1-3-11-23-12-13-24(19(23)25)18-9-10-21-15-22-18/h5-10,15H,1-4,11-14H2
InChIKey
AKKCVXLLGAGCDF-UHFFFAOYSA-N
Compound name
1-[6-(4-chlorophenoxy)hexyl]-3-pyrimidin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.15094 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15822 189.3
[M+Na]+ 397.14016 196.1
[M-H]- 373.14366 192.5
[M+NH4]+ 392.18476 197.8
[M+K]+ 413.11410 189.2
[M+H-H2O]+ 357.14820 176.8
[M+HCOO]- 419.14914 201.3
[M+CH3COO]- 433.16479 214.4
[M+Na-2H]- 395.12561 189.2
[M]+ 374.15039 192.3
[M]- 374.15149 192.3
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.