CID 28743369

1042605-05-9

Structural Information

Molecular Formula
C11H11N3O4
SMILES
CC1=C2C(=NC=C1C(=O)O)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C11H11N3O4/c1-5-6(10(16)17)4-12-8-7(5)9(15)14(3)11(18)13(8)2/h4H,1-3H3,(H,16,17)
InChIKey
CIOYYJJMCOIXAF-UHFFFAOYSA-N
Compound name
1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.07495 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.082226 151.5
[M+Na]+ 272.064168 164.8
[M-H]- 248.067674 152.6
[M+NH4]+ 267.108773 166.1
[M+K]+ 288.038108 161.2
[M+H-H2O]+ 232.072210 144.2
[M+HCOO]- 294.073151 170.0
[M+CH3COO]- 308.088801 195.0
[M+Na-2H]- 270.049616 156.0
[M]+ 249.07440142 156.1
[M]- 249.07549858 156.1
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.