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

31411
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

literature stripe

Patent stripe

patents stripe