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]+ 325.11828 175.7
[M+Na]+ 347.10022 184.0
[M-H]- 323.10372 179.8
[M+NH4]+ 342.14482 186.8
[M+K]+ 363.07416 174.3
[M+H-H2O]+ 307.10826 170.3
[M+HCOO]- 369.10920 194.6
[M+CH3COO]- 383.12485 198.6
[M+Na-2H]- 345.08567 182.4
[M]+ 324.11045 176.7
[M]- 324.11155 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.