CID 363445

6-(dimethylamino)-2,3-dimethylquinoxaline-5,8-dione

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CC1=C(N=C2C(=N1)C(=O)C=C(C2=O)N(C)C)C
InChI
InChI=1S/C12H13N3O2/c1-6-7(2)14-11-10(13-6)9(16)5-8(12(11)17)15(3)4/h5H,1-4H3
InChIKey
CPCMCXYHUQGKHE-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-2,3-dimethylquinoxaline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10077 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 149.9
[M+Na]+ 254.08999 160.9
[M-H]- 230.09349 154.2
[M+NH4]+ 249.13459 167.5
[M+K]+ 270.06393 158.5
[M+H-H2O]+ 214.09803 142.3
[M+HCOO]- 276.09897 171.5
[M+CH3COO]- 290.11462 200.2
[M+Na-2H]- 252.07544 155.0
[M]+ 231.10022 153.2
[M]- 231.10132 153.2
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.