CID 493084

Chembl295622

Structural Information

Molecular Formula
C21H26BrN3O2
SMILES
C1CN(C(=O)N1CCCCCCCOC2=CC=C(C=C2)Br)C3=CC=NC=C3
InChI
InChI=1S/C21H26BrN3O2/c22-18-6-8-20(9-7-18)27-17-5-3-1-2-4-14-24-15-16-25(21(24)26)19-10-12-23-13-11-19/h6-13H,1-5,14-17H2
InChIKey
BLYSYVJULRJIAR-UHFFFAOYSA-N
Compound name
1-[7-(4-bromophenoxy)heptyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.12085 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.12813 196.2
[M+Na]+ 454.11007 204.4
[M-H]- 430.11357 203.4
[M+NH4]+ 449.15467 207.5
[M+K]+ 470.08401 191.4
[M+H-H2O]+ 414.11811 192.0
[M+HCOO]- 476.11905 211.9
[M+CH3COO]- 490.13470 221.5
[M+Na-2H]- 452.09552 197.1
[M]+ 431.12030 216.2
[M]- 431.12140 216.2
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.