CID 5273096

5-[5-(2-ethyl-6-methyl-4-oxazol-2-yl-phenoxy)pentyl]-3-methyl-isoxazole

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CCC1=C(C(=CC(=C1)C2=NC=CO2)C)OCCCCCC3=CC(=NO3)C
InChI
InChI=1S/C21H26N2O3/c1-4-17-14-18(21-22-9-11-25-21)12-15(2)20(17)24-10-7-5-6-8-19-13-16(3)23-26-19/h9,11-14H,4-8,10H2,1-3H3
InChIKey
BEYMBWUKPGNGDK-UHFFFAOYSA-N
Compound name
5-[5-[2-ethyl-6-methyl-4-(1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.19434 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 186.1
[M+Na]+ 377.18356 195.4
[M-H]- 353.18706 195.4
[M+NH4]+ 372.22816 197.7
[M+K]+ 393.15750 192.9
[M+H-H2O]+ 337.19160 177.4
[M+HCOO]- 399.19254 208.5
[M+CH3COO]- 413.20819 214.5
[M+Na-2H]- 375.16901 186.4
[M]+ 354.19379 196.0
[M]- 354.19489 196.0
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.