CID 49768601

Ethyl (1,4-dioxido-3-phenylquinoxalin-2-yl)acetate

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CCOC(=O)CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O4/c1-2-24-17(21)12-16-18(13-8-4-3-5-9-13)20(23)15-11-7-6-10-14(15)19(16)22/h3-11H,2,12H2,1H3
InChIKey
POZQZDZKUODVKC-UHFFFAOYSA-N
Compound name
ethyl 2-(1-oxido-4-oxo-3-phenylquinoxalin-4-ium-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.111 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.118276 175.7
[M+Na]+ 347.100218 184.0
[M-H]- 323.103724 179.8
[M+NH4]+ 342.144823 186.8
[M+K]+ 363.074158 174.3
[M+H-H2O]+ 307.108260 170.3
[M+HCOO]- 369.109201 194.6
[M+CH3COO]- 383.124851 198.6
[M+Na-2H]- 345.085666 182.4
[M]+ 324.11045142 176.7
[M]- 324.11154858 176.7
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.