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]+ 353.149576 185.2
[M+Na]+ 375.131518 194.3
[M-H]- 351.135024 189.6
[M+NH4]+ 370.176123 195.8
[M+K]+ 391.105458 184.4
[M+H-H2O]+ 335.139560 179.9
[M+HCOO]- 397.140501 203.3
[M+CH3COO]- 411.156151 206.9
[M+Na-2H]- 373.116966 189.5
[M]+ 352.14175142 187.7
[M]- 352.14284858 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.