CID 391197

Nsc690030

Structural Information

Molecular Formula
C14H10ClN3O3
SMILES
CCOC(=O)C1=NC2=C(C=C3C=CC=NC3=C2Cl)NC1=O
InChI
InChI=1S/C14H10ClN3O3/c1-2-21-14(20)12-13(19)17-8-6-7-4-3-5-16-10(7)9(15)11(8)18-12/h3-6H,2H2,1H3,(H,17,19)
InChIKey
IPWNOTBDUSNUBQ-UHFFFAOYSA-N
Compound name
ethyl 5-chloro-2-oxo-1H-pyrido[3,2-g]quinoxaline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.04108 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04836 163.4
[M+Na]+ 326.03030 176.3
[M-H]- 302.03380 164.4
[M+NH4]+ 321.07490 177.0
[M+K]+ 342.00424 169.7
[M+H-H2O]+ 286.03834 155.1
[M+HCOO]- 348.03928 176.9
[M+CH3COO]- 362.05493 174.9
[M+Na-2H]- 324.01575 171.4
[M]+ 303.04053 169.4
[M]- 303.04163 169.4
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.