CID 13488227

Akos015960693

Structural Information

Molecular Formula
C19H17ClN2O4
SMILES
CCOC(=O)C(C)OC1=CC=CC(=C1)OC2=CN=C3C=C(C=CC3=N2)Cl
InChI
InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-4-6-15(10-14)26-18-11-21-17-9-13(20)7-8-16(17)22-18/h4-12H,3H2,1-2H3
InChIKey
WEDDIMYBTXRHEV-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.08768 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.094956 183.4
[M+Na]+ 395.076898 191.8
[M-H]- 371.080404 188.2
[M+NH4]+ 390.121503 194.3
[M+K]+ 411.050838 187.2
[M+H-H2O]+ 355.084940 173.5
[M+HCOO]- 417.085881 197.4
[M+CH3COO]- 431.101531 215.5
[M+Na-2H]- 393.062346 187.4
[M]+ 372.08713142 190.9
[M]- 372.08822858 190.9
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.