CID 493106

Chembl41999

Structural Information

Molecular Formula
C20H23BrClN3O2
SMILES
C1CN(C(=O)N1CCCCCCOC2=CC=C(C=C2)Br)C3=CC(=NC=C3)Cl
InChI
InChI=1S/C20H23BrClN3O2/c21-16-5-7-18(8-6-16)27-14-4-2-1-3-11-24-12-13-25(20(24)26)17-9-10-23-19(22)15-17/h5-10,15H,1-4,11-14H2
InChIKey
XPMXZHXPTPABJO-UHFFFAOYSA-N
Compound name
1-[6-(4-bromophenoxy)hexyl]-3-(2-chloropyridin-4-yl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

451.06622 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.07350 197.3
[M+Na]+ 474.05544 207.6
[M-H]- 450.05894 204.7
[M+NH4]+ 469.10004 208.9
[M+K]+ 490.02938 193.3
[M+H-H2O]+ 434.06348 193.4
[M+HCOO]- 496.06442 208.7
[M+CH3COO]- 510.08007 223.1
[M+Na-2H]- 472.04089 197.6
[M]+ 451.06567 219.2
[M]- 451.06677 219.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.