CID 24697601

1000933-15-2

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]+ 222.050936 143.5
[M+Na]+ 244.032878 155.4
[M-H]- 220.036384 142.7
[M+NH4]+ 239.077483 157.9
[M+K]+ 260.006818 151.3
[M+H-H2O]+ 204.040920 136.2
[M+HCOO]- 266.041861 161.2
[M+CH3COO]- 280.057511 184.0
[M+Na-2H]- 242.018326 150.0
[M]+ 221.04311142 144.6
[M]- 221.04420858 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.