CID 490523

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

Structural Information

Molecular Formula
C21H21NO6
SMILES
CCOC(=O)C1=C(ON=C1C2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H21NO6/c1-5-27-21(23)18-19(14-8-11-16(25-3)17(12-14)26-4)22-28-20(18)13-6-9-15(24-2)10-7-13/h6-12H,5H2,1-4H3
InChIKey
AARSBGFCCDFRMF-UHFFFAOYSA-N
Compound name
ethyl 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1369 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14418 189.0
[M+Na]+ 406.12612 197.5
[M-H]- 382.12962 199.2
[M+NH4]+ 401.17072 199.9
[M+K]+ 422.10006 196.5
[M+H-H2O]+ 366.13416 179.6
[M+HCOO]- 428.13510 211.2
[M+CH3COO]- 442.15075 219.2
[M+Na-2H]- 404.11157 189.4
[M]+ 383.13635 198.8
[M]- 383.13745 198.8
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.