CID 24697601

1-methyl-2,4-dioxo-1h,2h,3h,4h-pyrido[2,3-d]pyrimidine-7-carboxylic acid

Structural Information

Molecular Formula
C9H7N3O4
SMILES
CN1C2=C(C=CC(=N2)C(=O)O)C(=O)NC1=O
InChI
InChI=1S/C9H7N3O4/c1-12-6-4(7(13)11-9(12)16)2-3-5(10-6)8(14)15/h2-3H,1H3,(H,14,15)(H,11,13,16)
InChIKey
CAOKZFGLLFQDNW-UHFFFAOYSA-N
Compound name
1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.04366 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05094 143.5
[M+Na]+ 244.03288 155.4
[M-H]- 220.03638 142.7
[M+NH4]+ 239.07748 157.9
[M+K]+ 260.00682 151.3
[M+H-H2O]+ 204.04092 136.2
[M+HCOO]- 266.04186 161.2
[M+CH3COO]- 280.05751 184.0
[M+Na-2H]- 242.01833 150.0
[M]+ 221.04311 144.6
[M]- 221.04421 144.6
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.