CID 49768602

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

Structural Information

Molecular Formula
C18H15ClN2O4
SMILES
CCOC(=O)CC1=C([N+](=O)C2=C(N1[O-])C=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C18H15ClN2O4/c1-2-25-17(22)11-16-18(12-6-4-3-5-7-12)21(24)14-9-8-13(19)10-15(14)20(16)23/h3-10H,2,11H2,1H3
InChIKey
MBZHTGCFMYQMEW-UHFFFAOYSA-N
Compound name
ethyl 2-(7-chloro-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

358.07202 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07930 181.9
[M+Na]+ 381.06124 191.3
[M-H]- 357.06474 185.8
[M+NH4]+ 376.10584 192.6
[M+K]+ 397.03518 180.6
[M+H-H2O]+ 341.06928 177.3
[M+HCOO]- 403.07022 196.0
[M+CH3COO]- 417.08587 203.4
[M+Na-2H]- 379.04669 187.3
[M]+ 358.07147 185.5
[M]- 358.07257 185.5
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.