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]+ 235.10773 152.5
[M+Na]+ 257.08967 164.0
[M+NH4]+ 252.13427 159.0
[M+K]+ 273.06361 158.5
[M-H]- 233.09317 152.2
[M+Na-2H]- 255.07512 156.2
[M]+ 234.09990 153.7
[M]- 234.10100 153.7
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.