CID 24697854

1000932-76-2

Structural Information

Molecular Formula
C10H9N3O4
SMILES
CN1C2=C(C=CC(=N2)C(=O)O)C(=O)N(C1=O)C
InChI
InChI=1S/C10H9N3O4/c1-12-7-5(8(14)13(2)10(12)17)3-4-6(11-7)9(15)16/h3-4H,1-2H3,(H,15,16)
InChIKey
ISNFJIYLRSGGKX-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.05931 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06659 147.1
[M+Na]+ 258.04853 159.9
[M-H]- 234.05203 147.9
[M+NH4]+ 253.09313 161.9
[M+K]+ 274.02247 156.4
[M+H-H2O]+ 218.05657 139.6
[M+HCOO]- 280.05751 165.9
[M+CH3COO]- 294.07316 190.7
[M+Na-2H]- 256.03398 152.8
[M]+ 235.05876 150.8
[M]- 235.05986 150.8
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.