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
2
Annotation Hits

4
References

274
Patents

269.04547 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.052746 155.3
[M+Na]+ 292.034688 166.2
[M-H]- 268.038194 159.7
[M+NH4]+ 287.079293 173.2
[M+K]+ 308.008628 163.9
[M+H-H2O]+ 252.042730 149.3
[M+HCOO]- 314.043671 174.1
[M+CH3COO]- 328.059321 193.6
[M+Na-2H]- 290.020136 161.2
[M]+ 269.04492142 165.4
[M]- 269.04601858 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

literature stripe

Patent stripe

patents stripe