CID 5271168

Chembl165748

Structural Information

Molecular Formula
C20H26F3NO2
SMILES
CCC1=C(C(=NO1)CC)CCCCCCOC2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C20H26F3NO2/c1-3-17-15(18(4-2)26-24-17)11-7-5-6-10-14-25-19-13-9-8-12-16(19)20(21,22)23/h8-9,12-13H,3-7,10-11,14H2,1-2H3
InChIKey
RGYNDYPQKWBHDZ-UHFFFAOYSA-N
Compound name
3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.19156 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19884 189.4
[M+Na]+ 392.18078 196.7
[M-H]- 368.18428 191.1
[M+NH4]+ 387.22538 201.3
[M+K]+ 408.15472 192.6
[M+H-H2O]+ 352.18882 178.6
[M+HCOO]- 414.18976 205.9
[M+CH3COO]- 428.20541 217.7
[M+Na-2H]- 390.16623 189.3
[M]+ 369.19101 192.5
[M]- 369.19211 192.5
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.