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]+ 354.133576 182.0
[M+Na]+ 376.115518 190.3
[M-H]- 352.119024 192.0
[M+NH4]+ 371.160123 193.9
[M+K]+ 392.089458 188.6
[M+H-H2O]+ 336.123560 172.7
[M+HCOO]- 398.124501 204.3
[M+CH3COO]- 412.140151 212.9
[M+Na-2H]- 374.100966 183.3
[M]+ 353.12575142 189.6
[M]- 353.12684858 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.