CID 493109

1-(2-chloro-4-pyridyl)-3-[6-[4-(trimethyl-$l^{4}-sulfanyl)phenoxy]hexyl]imidazolidin-2-one

Structural Information

Molecular Formula
C23H32ClN3O2S
SMILES
CS(C)(C)C1=CC=C(C=C1)OCCCCCCN2CCN(C2=O)C3=CC(=NC=C3)Cl
InChI
InChI=1S/C23H32ClN3O2S/c1-30(2,3)21-10-8-20(9-11-21)29-17-7-5-4-6-14-26-15-16-27(23(26)28)19-12-13-25-22(24)18-19/h8-13,18H,4-7,14-17H2,1-3H3
InChIKey
WFHNYIRFMUTWJL-UHFFFAOYSA-N
Compound name
1-(2-chloropyridin-4-yl)-3-[6-[4-(trimethyl-lambda4-sulfanyl)phenoxy]hexyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

449.19037 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.19765 210.7
[M+Na]+ 472.17959 217.5
[M-H]- 448.18309 216.0
[M+NH4]+ 467.22419 219.1
[M+K]+ 488.15353 210.1
[M+H-H2O]+ 432.18763 200.7
[M+HCOO]- 494.18857 216.8
[M+CH3COO]- 508.20422 228.3
[M+Na-2H]- 470.16504 206.6
[M]+ 449.18982 217.0
[M]- 449.19092 217.0
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.