CID 3062303

Benzeneacetic acid, 4-(4-(3,4-dimethoxyphenyl)-5-ethoxy-2-oxazolyl)-, methyl ester

Structural Information

Molecular Formula
C22H23NO6
SMILES
CCOC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)OC)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C22H23NO6/c1-5-28-22-20(16-10-11-17(25-2)18(13-16)26-3)23-21(29-22)15-8-6-14(7-9-15)12-19(24)27-4/h6-11,13H,5,12H2,1-4H3
InChIKey
PXIAQUCQLGWCSJ-UHFFFAOYSA-N
Compound name
methyl 2-[4-[4-(3,4-dimethoxyphenyl)-5-ethoxy-1,3-oxazol-2-yl]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.15253 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.15981 194.3
[M+Na]+ 420.14175 208.3
[M+NH4]+ 415.18635 199.6
[M+K]+ 436.11569 204.1
[M-H]- 396.14525 199.4
[M+Na-2H]- 418.12720 200.8
[M]+ 397.15198 197.7
[M]- 397.15308 197.7
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.