CID 493091

Chembl46424

Structural Information

Molecular Formula
C21H27N3O2S
SMILES
CSC1=CC=C(C=C1)OCCCCCCN2CCN(C2=O)C3=CC=NC=C3
InChI
InChI=1S/C21H27N3O2S/c1-27-20-8-6-19(7-9-20)26-17-5-3-2-4-14-23-15-16-24(21(23)25)18-10-12-22-13-11-18/h6-13H,2-5,14-17H2,1H3
InChIKey
KQQJXQKSHXJKCC-UHFFFAOYSA-N
Compound name
1-[6-(4-methylsulfanylphenoxy)hexyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.1824 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18968 193.3
[M+Na]+ 408.17162 199.5
[M-H]- 384.17512 198.3
[M+NH4]+ 403.21622 203.1
[M+K]+ 424.14556 193.1
[M+H-H2O]+ 368.17966 182.7
[M+HCOO]- 430.18060 206.5
[M+CH3COO]- 444.19625 217.4
[M+Na-2H]- 406.15707 190.4
[M]+ 385.18185 197.1
[M]- 385.18295 197.1
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.