CID 18802049

7-cyclopropyl-1-methyl-2,4-dioxo-1h,2h,3h,4h-pyrido[2,3-d]pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C12H11N3O4
SMILES
CN1C2=C(C(=CC(=N2)C3CC3)C(=O)O)C(=O)NC1=O
InChI
InChI=1S/C12H11N3O4/c1-15-9-8(10(16)14-12(15)19)6(11(17)18)4-7(13-9)5-2-3-5/h4-5H,2-3H2,1H3,(H,17,18)(H,14,16,19)
InChIKey
YNAAJIOEGXJCFK-UHFFFAOYSA-N
Compound name
7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.07495 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.082226 165.9
[M+Na]+ 284.064168 179.0
[M-H]- 260.067674 168.7
[M+NH4]+ 279.108773 174.1
[M+K]+ 300.038108 171.8
[M+H-H2O]+ 244.072210 158.0
[M+HCOO]- 306.073151 182.8
[M+CH3COO]- 320.088801 195.8
[M+Na-2H]- 282.049616 169.3
[M]+ 261.07440142 169.3
[M]- 261.07549858 169.3
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.