CID 5271167

Chembl165169

Structural Information

Molecular Formula
C20H29NO2S
SMILES
CCC1=C(C(=NO1)CC)CCCCCCOC2=CC=C(C=C2)SC
InChI
InChI=1S/C20H29NO2S/c1-4-19-18(20(5-2)23-21-19)10-8-6-7-9-15-22-16-11-13-17(24-3)14-12-16/h11-14H,4-10,15H2,1-3H3
InChIKey
HYVJRPJSEKQVNM-UHFFFAOYSA-N
Compound name
3,5-diethyl-4-[6-(4-methylsulfanylphenoxy)hexyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.1919 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19918 185.7
[M+Na]+ 370.18112 193.0
[M-H]- 346.18462 191.6
[M+NH4]+ 365.22572 199.5
[M+K]+ 386.15506 189.0
[M+H-H2O]+ 330.18916 177.7
[M+HCOO]- 392.19010 202.3
[M+CH3COO]- 406.20575 213.4
[M+Na-2H]- 368.16657 183.7
[M]+ 347.19135 195.1
[M]- 347.19245 195.1
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.