CID 45099686

67074-71-9

Structural Information

Molecular Formula
C8H7N3O2
SMILES
CN1C2=C(NC(=O)C1=O)N=CC=C2
InChI
InChI=1S/C8H7N3O2/c1-11-5-3-2-4-9-6(5)10-7(12)8(11)13/h2-4H,1H3,(H,9,10,12)
InChIKey
BSQBDLZRKDSFOK-UHFFFAOYSA-N
Compound name
1-methyl-4H-pyrido[2,3-b]pyrazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

177.05383 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 133.9
[M+Na]+ 200.04305 146.2
[M-H]- 176.04655 134.1
[M+NH4]+ 195.08765 150.9
[M+K]+ 216.01699 141.9
[M+H-H2O]+ 160.05109 126.4
[M+HCOO]- 222.05203 153.9
[M+CH3COO]- 236.06768 177.5
[M+Na-2H]- 198.02850 143.2
[M]+ 177.05328 134.5
[M]- 177.05438 134.5
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

patents stripe