CID 391277

Nsc690236

Structural Information

Molecular Formula
C16H14ClN3O3
SMILES
CCOC(=O)C(C)C1=NC2=C(C=C3C=CC=NC3=C2Cl)NC1=O
InChI
InChI=1S/C16H14ClN3O3/c1-3-23-16(22)8(2)12-15(21)19-10-7-9-5-4-6-18-13(9)11(17)14(10)20-12/h4-8H,3H2,1-2H3,(H,19,21)
InChIKey
KQOCSYSJMNTJCU-UHFFFAOYSA-N
Compound name
ethyl 2-(5-chloro-2-oxo-1H-pyrido[3,2-g]quinoxalin-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.07236 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07964 171.8
[M+Na]+ 354.06158 183.5
[M-H]- 330.06508 172.7
[M+NH4]+ 349.10618 184.2
[M+K]+ 370.03552 177.1
[M+H-H2O]+ 314.06962 163.4
[M+HCOO]- 376.07056 183.7
[M+CH3COO]- 390.08621 182.4
[M+Na-2H]- 352.04703 177.8
[M]+ 331.07181 178.0
[M]- 331.07291 178.0
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.