CID 493125

Chembl296215

Structural Information

Molecular Formula
C21H25ClN2O2
SMILES
C1CN(C(=O)N1CCCCCCOC2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C21H25ClN2O2/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
MUXSUGUSDKNOMJ-UHFFFAOYSA-N
Compound name
1-[6-(4-chlorophenoxy)hexyl]-3-phenylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.16046 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16774 191.0
[M+Na]+ 395.14968 197.1
[M-H]- 371.15318 196.8
[M+NH4]+ 390.19428 202.5
[M+K]+ 411.12362 190.1
[M+H-H2O]+ 355.15772 180.3
[M+HCOO]- 417.15866 205.3
[M+CH3COO]- 431.17431 214.8
[M+Na-2H]- 393.13513 190.0
[M]+ 372.15991 193.9
[M]- 372.16101 193.9
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.