CID 5271172

Chembl165075

Structural Information

Molecular Formula
C19H26FNO2
SMILES
CCC1=C(C(=NO1)CC)CCCCCCOC2=CC=CC=C2F
InChI
InChI=1S/C19H26FNO2/c1-3-17-15(18(4-2)23-21-17)11-7-5-6-10-14-22-19-13-9-8-12-16(19)20/h8-9,12-13H,3-7,10-11,14H2,1-2H3
InChIKey
JKDYPBWXDMZSJG-UHFFFAOYSA-N
Compound name
3,5-diethyl-4-[6-(2-fluorophenoxy)hexyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

319.19476 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20204 178.2
[M+Na]+ 342.18398 185.5
[M-H]- 318.18748 182.5
[M+NH4]+ 337.22858 192.2
[M+K]+ 358.15792 181.9
[M+H-H2O]+ 302.19202 168.9
[M+HCOO]- 364.19296 198.8
[M+CH3COO]- 378.20861 209.5
[M+Na-2H]- 340.16943 179.0
[M]+ 319.19421 183.9
[M]- 319.19531 183.9
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

patents stripe