CID 493124

Chembl45150

Structural Information

Molecular Formula
C21H25BrN2O2
SMILES
C1CN(C(=O)N1CCCCCCOC2=CC=C(C=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C21H25BrN2O2/c22-18-10-12-20(13-11-18)26-17-7-2-1-6-14-23-15-16-24(21(23)25)19-8-4-3-5-9-19/h3-5,8-13H,1-2,6-7,14-17H2
InChIKey
QIKHWEWPQGPQHY-UHFFFAOYSA-N
Compound name
1-[6-(4-bromophenoxy)hexyl]-3-phenylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.10995 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11723 194.2
[M+Na]+ 439.09917 202.4
[M-H]- 415.10267 202.7
[M+NH4]+ 434.14377 207.3
[M+K]+ 455.07311 189.6
[M+H-H2O]+ 399.10721 190.7
[M+HCOO]- 461.10815 211.1
[M+CH3COO]- 475.12380 219.0
[M+Na-2H]- 437.08462 194.9
[M]+ 416.10940 213.7
[M]- 416.11050 213.7
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.