CID 49768607

Ethyl (6,7-dimethyl-1,4-dioxido-3-phenylquinoxalin-2-yl)acetate

Structural Information

Molecular Formula
C20H20N2O4
SMILES
CCOC(=O)CC1=C([N+](=O)C2=C(N1[O-])C=C(C(=C2)C)C)C3=CC=CC=C3
InChI
InChI=1S/C20H20N2O4/c1-4-26-19(23)12-18-20(15-8-6-5-7-9-15)22(25)17-11-14(3)13(2)10-16(17)21(18)24/h5-11H,4,12H2,1-3H3
InChIKey
XXJJPZHULGRLBQ-UHFFFAOYSA-N
Compound name
ethyl 2-(6,7-dimethyl-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

352.1423 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 185.2
[M+Na]+ 375.13152 194.3
[M-H]- 351.13502 189.6
[M+NH4]+ 370.17612 195.8
[M+K]+ 391.10546 184.4
[M+H-H2O]+ 335.13956 179.9
[M+HCOO]- 397.14050 203.3
[M+CH3COO]- 411.15615 206.9
[M+Na-2H]- 373.11697 189.5
[M]+ 352.14175 187.7
[M]- 352.14285 187.7
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.