CID 4962857

863667-95-2

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]+ 326.113536 175.0
[M+Na]+ 348.095478 185.3
[M-H]- 324.098984 177.0
[M+NH4]+ 343.140083 184.7
[M+K]+ 364.069418 178.9
[M+H-H2O]+ 308.103520 165.3
[M+HCOO]- 370.104461 191.1
[M+CH3COO]- 384.120111 205.5
[M+Na-2H]- 346.080926 179.0
[M]+ 325.10571142 176.6
[M]- 325.10680858 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.