CID 5486198

Licostinel

Structural Information

Molecular Formula
C8H3Cl2N3O4
SMILES
C1=C2C(=C(C(=C1Cl)Cl)[N+](=O)[O-])NC(=O)C(=O)N2
InChI
InChI=1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)
InChIKey
CHFSOFHQIZKQCR-UHFFFAOYSA-N
Compound name
6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

50
References

996
Patents

274.95007 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.957346 147.6
[M+Na]+ 297.939288 159.3
[M-H]- 273.942794 147.3
[M+NH4]+ 292.983893 161.7
[M+K]+ 313.913228 149.0
[M+H-H2O]+ 257.947330 147.4
[M+HCOO]- 319.948271 158.7
[M+CH3COO]- 333.963921 184.2
[M+Na-2H]- 295.924736 155.4
[M]+ 274.94952142 148.4
[M]- 274.95061858 148.4
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

patents stripe