CID 363451

6-amino-7-chloro-2,3-dimethylquinoxaline-5,8-dione

Structural Information

Molecular Formula
C10H8ClN3O2
SMILES
CC1=C(N=C2C(=N1)C(=O)C(=C(C2=O)Cl)N)C
InChI
InChI=1S/C10H8ClN3O2/c1-3-4(2)14-8-7(13-3)9(15)5(11)6(12)10(8)16/h12H2,1-2H3
InChIKey
IFUHLPIJPZVJMT-UHFFFAOYSA-N
Compound name
6-amino-7-chloro-2,3-dimethylquinoxaline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0305 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03778 148.9
[M+Na]+ 260.01972 162.2
[M-H]- 236.02322 151.6
[M+NH4]+ 255.06432 166.5
[M+K]+ 275.99366 157.0
[M+H-H2O]+ 220.02776 142.7
[M+HCOO]- 282.02870 165.3
[M+CH3COO]- 296.04435 195.3
[M+Na-2H]- 258.00517 153.3
[M]+ 237.02995 151.6
[M]- 237.03105 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.