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]+ 355.201616 186.1
[M+Na]+ 377.183558 195.4
[M-H]- 353.187064 195.4
[M+NH4]+ 372.228163 197.7
[M+K]+ 393.157498 192.9
[M+H-H2O]+ 337.191600 177.4
[M+HCOO]- 399.192541 208.5
[M+CH3COO]- 413.208191 214.5
[M+Na-2H]- 375.169006 186.4
[M]+ 354.19379142 196.0
[M]- 354.19488858 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.