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]+ 236.066586 147.1
[M+Na]+ 258.048528 159.9
[M-H]- 234.052034 147.9
[M+NH4]+ 253.093133 161.9
[M+K]+ 274.022468 156.4
[M+H-H2O]+ 218.056570 139.6
[M+HCOO]- 280.057511 165.9
[M+CH3COO]- 294.073161 190.7
[M+Na-2H]- 256.033976 152.8
[M]+ 235.05876142 150.8
[M]- 235.05985858 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.