CID 490526

Ethyl 3,5-bis(4-methoxyphenyl)isoxazole-4-carboxylate

Structural Information

Molecular Formula
C20H19NO5
SMILES
CCOC(=O)C1=C(ON=C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H19NO5/c1-4-25-20(22)17-18(13-5-9-15(23-2)10-6-13)21-26-19(17)14-7-11-16(24-3)12-8-14/h5-12H,4H2,1-3H3
InChIKey
BMKRSSZEHBVESG-UHFFFAOYSA-N
Compound name
ethyl 3,5-bis(4-methoxyphenyl)-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1263 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13358 182.0
[M+Na]+ 376.11552 190.3
[M-H]- 352.11902 192.0
[M+NH4]+ 371.16012 193.9
[M+K]+ 392.08946 188.6
[M+H-H2O]+ 336.12356 172.7
[M+HCOO]- 398.12450 204.3
[M+CH3COO]- 412.14015 212.9
[M+Na-2H]- 374.10097 183.3
[M]+ 353.12575 189.6
[M]- 353.12685 189.6
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.