CID 493121

Chembl46700

Structural Information

Molecular Formula
C19H23BrN4O2
SMILES
C1CN(C(=O)N1CCCCCCOC2=CC=C(C=C2)Br)C3=NC=NC=C3
InChI
InChI=1S/C19H23BrN4O2/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
UHUAZIDZLNCDAY-UHFFFAOYSA-N
Compound name
1-[6-(4-bromophenoxy)hexyl]-3-pyrimidin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.10043 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.10771 189.7
[M+Na]+ 441.08965 198.7
[M-H]- 417.09315 196.0
[M+NH4]+ 436.13425 200.2
[M+K]+ 457.06359 186.0
[M+H-H2O]+ 401.09769 185.2
[M+HCOO]- 463.09863 204.8
[M+CH3COO]- 477.11428 218.6
[M+Na-2H]- 439.07510 191.7
[M]+ 418.09988 209.5
[M]- 418.10098 209.5
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.