CID 138394724

4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)oxazole

Structural Information

Molecular Formula
C21H21F2NO2
SMILES
CCOC1=C(C=CC(=C1)C(C)(C)C)C2=COC(=N2)C3=C(C=CC=C3F)F
InChI
InChI=1S/C21H21F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-12H,5H2,1-4H3
InChIKey
NEMDNCLAZKEXHL-UHFFFAOYSA-N
Compound name
4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

0
Patents

357.15402 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.161296 185.1
[M+Na]+ 380.143238 195.2
[M-H]- 356.146744 192.7
[M+NH4]+ 375.187843 197.7
[M+K]+ 396.117178 190.8
[M+H-H2O]+ 340.151280 174.9
[M+HCOO]- 402.152221 203.6
[M+CH3COO]- 416.167871 216.3
[M+Na-2H]- 378.128686 185.8
[M]+ 357.15347142 188.0
[M]- 357.15456858 188.0
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.