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]+ 262.08223 165.9
[M+Na]+ 284.06417 179.0
[M-H]- 260.06767 168.7
[M+NH4]+ 279.10877 174.1
[M+K]+ 300.03811 171.8
[M+H-H2O]+ 244.07221 158.0
[M+HCOO]- 306.07315 182.8
[M+CH3COO]- 320.08880 195.8
[M+Na-2H]- 282.04962 169.3
[M]+ 261.07440 169.3
[M]- 261.07550 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.