CID 4962857

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

Structural Information

Molecular Formula
C17H15N3O4
SMILES
CCCN1C2=C(C(=CC(=N2)C3=CC=CC=C3)C(=O)O)C(=O)NC1=O
InChI
InChI=1S/C17H15N3O4/c1-2-8-20-14-13(15(21)19-17(20)24)11(16(22)23)9-12(18-14)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,22,23)(H,19,21,24)
InChIKey
GLAUQFHURQLJCP-UHFFFAOYSA-N
Compound name
2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

325.10626 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11354 174.9
[M+Na]+ 348.09548 190.1
[M+NH4]+ 343.14008 179.8
[M+K]+ 364.06942 184.1
[M-H]- 324.09898 176.0
[M+Na-2H]- 346.08093 180.9
[M]+ 325.10571 177.2
[M]- 325.10681 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.