CID 3727805

154640-54-7

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CCOC(=O)CN1C2=CC=CC=C2N=CC1=O
InChI
InChI=1S/C12H12N2O3/c1-2-17-12(16)8-14-10-6-4-3-5-9(10)13-7-11(14)15/h3-7H,2,8H2,1H3
InChIKey
NFWMSGZOFCQKCT-UHFFFAOYSA-N
Compound name
ethyl 2-(2-oxoquinoxalin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

232.0848 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.092076 148.8
[M+Na]+ 255.074018 158.4
[M-H]- 231.077524 150.9
[M+NH4]+ 250.118623 165.2
[M+K]+ 271.047958 155.5
[M+H-H2O]+ 215.082060 140.7
[M+HCOO]- 277.083001 169.6
[M+CH3COO]- 291.098651 190.2
[M+Na-2H]- 253.059466 156.1
[M]+ 232.08425142 152.5
[M]- 232.08534858 152.5
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