CID 493079

Chembl291183

Structural Information

Molecular Formula
C20H24BrN3O2
SMILES
C1CN(C(=O)N1CCCCCCOC2=CC=C(C=C2)Br)C3=CC=NC=C3
InChI
InChI=1S/C20H24BrN3O2/c21-17-5-7-19(8-6-17)26-16-4-2-1-3-13-23-14-15-24(20(23)25)18-9-11-22-12-10-18/h5-12H,1-4,13-16H2
InChIKey
SXXDOEWPBDRPDB-UHFFFAOYSA-N
Compound name
1-[6-(4-bromophenoxy)hexyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

417.1052 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.11248 191.9
[M+Na]+ 440.09442 200.5
[M-H]- 416.09792 199.3
[M+NH4]+ 435.13902 203.7
[M+K]+ 456.06836 187.8
[M+H-H2O]+ 400.10246 187.9
[M+HCOO]- 462.10340 208.0
[M+CH3COO]- 476.11905 218.8
[M+Na-2H]- 438.07987 193.3
[M]+ 417.10465 211.6
[M]- 417.10575 211.6
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.