CID 2384412

726153-69-1

Structural Information

Molecular Formula
C16H18N2O5
SMILES
CCN1C2=C(C=CC(=C2)C(=O)OCC)N=C(C1=O)CCC(=O)O
InChI
InChI=1S/C16H18N2O5/c1-3-18-13-9-10(16(22)23-4-2)5-6-11(13)17-12(15(18)21)7-8-14(19)20/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKey
RMSGKZWAJGWCSV-UHFFFAOYSA-N
Compound name
3-(6-ethoxycarbonyl-4-ethyl-3-oxoquinoxalin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

318.12158 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12886 172.4
[M+Na]+ 341.11080 184.4
[M+NH4]+ 336.15540 176.7
[M+K]+ 357.08474 179.8
[M-H]- 317.11430 171.1
[M+Na-2H]- 339.09625 175.1
[M]+ 318.12103 173.4
[M]- 318.12213 173.4
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

No patent data available for this compound.