CID 153974

Etoxazole

Structural Information

Molecular Formula
C21H23F2NO2
SMILES
CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F
InChI
InChI=1S/C21H23F2NO2/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/h6-11,17H,5,12H2,1-4H3
InChIKey
IXSZQYVWNJNRAL-UHFFFAOYSA-N
Compound name
4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

59
References

39199
Patents

359.16968 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17696 186.2
[M+Na]+ 382.15890 195.3
[M-H]- 358.16240 193.4
[M+NH4]+ 377.20350 198.7
[M+K]+ 398.13284 191.1
[M+H-H2O]+ 342.16694 176.1
[M+HCOO]- 404.16788 203.3
[M+CH3COO]- 418.18353 216.6
[M+Na-2H]- 380.14435 186.0
[M]+ 359.16913 187.7
[M]- 359.17023 187.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.