CID 5271171

Chembl164967

Structural Information

Molecular Formula
C19H25ClFNO2
SMILES
CCC1=C(C(=NO1)CC)CCCCCCOC2=C(C=C(C=C2)F)Cl
InChI
InChI=1S/C19H25ClFNO2/c1-3-17-15(18(4-2)24-22-17)9-7-5-6-8-12-23-19-11-10-14(21)13-16(19)20/h10-11,13H,3-9,12H2,1-2H3
InChIKey
IHNLEOQDWIJFLG-UHFFFAOYSA-N
Compound name
4-[6-(2-chloro-4-fluorophenoxy)hexyl]-3,5-diethyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.1558 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.16308 185.3
[M+Na]+ 376.14502 194.1
[M-H]- 352.14852 189.6
[M+NH4]+ 371.18962 199.0
[M+K]+ 392.11896 188.8
[M+H-H2O]+ 336.15306 176.5
[M+HCOO]- 398.15400 201.1
[M+CH3COO]- 412.16965 214.3
[M+Na-2H]- 374.13047 184.7
[M]+ 353.15525 193.4
[M]- 353.15635 193.4
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.