CID 292823

Ethyl 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetate

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CCOC(=O)CN1CC(=O)NC2=CC=CC=C21
InChI
InChI=1S/C12H14N2O3/c1-2-17-12(16)8-14-7-11(15)13-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,13,15)
InChIKey
VDWCBOWYLRLNMN-UHFFFAOYSA-N
Compound name
ethyl 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 151.8
[M+Na]+ 257.089668 158.9
[M-H]- 233.093174 151.7
[M+NH4]+ 252.134273 167.2
[M+K]+ 273.063608 155.6
[M+H-H2O]+ 217.097710 144.1
[M+HCOO]- 279.098651 168.2
[M+CH3COO]- 293.114301 188.3
[M+Na-2H]- 255.075116 156.7
[M]+ 234.09990142 150.8
[M]- 234.10099858 150.8
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.