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 175.0
[M+Na]+ 348.09548 185.3
[M-H]- 324.09898 177.0
[M+NH4]+ 343.14008 184.7
[M+K]+ 364.06942 178.9
[M+H-H2O]+ 308.10352 165.3
[M+HCOO]- 370.10446 191.1
[M+CH3COO]- 384.12011 205.5
[M+Na-2H]- 346.08093 179.0
[M]+ 325.10571 176.6
[M]- 325.10681 176.6
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.