CID 391192

Nsc690025

Structural Information

Molecular Formula
C17H20FN3O4
SMILES
CCOC(=O)C(C)C1=NC2=CC(=C(C=C2NC1=O)F)N3CCOCC3
InChI
InChI=1S/C17H20FN3O4/c1-3-25-17(23)10(2)15-16(22)20-12-8-11(18)14(9-13(12)19-15)21-4-6-24-7-5-21/h8-10H,3-7H2,1-2H3,(H,20,22)
InChIKey
QIDLEPHVYXVBGA-UHFFFAOYSA-N
Compound name
ethyl 2-(6-fluoro-7-morpholin-4-yl-3-oxo-4H-quinoxalin-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1438 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.15108 182.2
[M+Na]+ 372.13302 188.8
[M-H]- 348.13652 183.2
[M+NH4]+ 367.17762 189.8
[M+K]+ 388.10696 185.3
[M+H-H2O]+ 332.14106 170.9
[M+HCOO]- 394.14200 192.4
[M+CH3COO]- 408.15765 211.2
[M+Na-2H]- 370.11847 183.1
[M]+ 349.14325 180.5
[M]- 349.14435 180.5
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.