CID 403950

Nsc719716

Structural Information

Molecular Formula
C16H11Cl2N3O3
SMILES
CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C16H11Cl2N3O3/c1-9-15(16(22)19-10-5-3-2-4-6-10)21(24)14-8-12(18)11(17)7-13(14)20(9)23/h2-8H,1H3,(H,19,22)
InChIKey
NAJJQLMMSVMOCJ-UHFFFAOYSA-N
Compound name
6,7-dichloro-3-methyl-4-oxido-1-oxo-N-phenylquinoxalin-1-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

363.01776 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.02504 179.1
[M+Na]+ 386.00698 189.5
[M-H]- 362.01048 182.5
[M+NH4]+ 381.05158 190.1
[M+K]+ 401.98092 178.0
[M+H-H2O]+ 346.01502 175.7
[M+HCOO]- 408.01596 189.6
[M+CH3COO]- 422.03161 205.6
[M+Na-2H]- 383.99243 184.4
[M]+ 363.01721 181.8
[M]- 363.01831 181.8
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.