CID 54550

Eclazolast

Structural Information

Molecular Formula
C12H12ClNO4
SMILES
CCOCCOC(=O)C1=NC2=C(O1)C=CC(=C2)Cl
InChI
InChI=1S/C12H12ClNO4/c1-2-16-5-6-17-12(15)11-14-9-7-8(13)3-4-10(9)18-11/h3-4,7H,2,5-6H2,1H3
InChIKey
HNJUBRBHULQQFX-UHFFFAOYSA-N
Compound name
2-ethoxyethyl 5-chloro-1,3-benzoxazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

270
Patents

269.04547 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.05275 155.3
[M+Na]+ 292.03469 166.2
[M-H]- 268.03819 159.7
[M+NH4]+ 287.07929 173.2
[M+K]+ 308.00863 163.9
[M+H-H2O]+ 252.04273 149.3
[M+HCOO]- 314.04367 174.1
[M+CH3COO]- 328.05932 193.6
[M+Na-2H]- 290.02014 161.2
[M]+ 269.04492 165.4
[M]- 269.04602 165.4
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.