CID 49768606

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

Structural Information

Molecular Formula
C18H14Cl2N2O4
SMILES
CCOC(=O)CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C3=CC=CC=C3
InChI
InChI=1S/C18H14Cl2N2O4/c1-2-26-17(23)10-16-18(11-6-4-3-5-7-11)22(25)15-9-13(20)12(19)8-14(15)21(16)24/h3-9H,2,10H2,1H3
InChIKey
DUEAUQKUBHJOFI-UHFFFAOYSA-N
Compound name
ethyl 2-(6,7-dichloro-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

392.03305 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.04033 187.1
[M+Na]+ 415.02227 197.3
[M-H]- 391.02577 190.3
[M+NH4]+ 410.06687 197.2
[M+K]+ 430.99621 186.2
[M+H-H2O]+ 375.03031 183.2
[M+HCOO]- 437.03125 196.0
[M+CH3COO]- 451.04690 208.8
[M+Na-2H]- 413.00772 191.0
[M]+ 392.03250 192.4
[M]- 392.03360 192.4
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.