CID 16778580

1-benzyl-2,4-dioxo-1h,2h,3h,4h-pyrido[2,3-d]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C15H11N3O4
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=N3)C(=O)O)C(=O)NC2=O
InChI
InChI=1S/C15H11N3O4/c19-13-11-6-10(14(20)21)7-16-12(11)18(15(22)17-13)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,20,21)(H,17,19,22)
InChIKey
CNOOSIOPWIHWIA-UHFFFAOYSA-N
Compound name
1-benzyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.07495 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08223 165.6
[M+Na]+ 320.06417 175.9
[M-H]- 296.06767 167.5
[M+NH4]+ 315.10877 176.1
[M+K]+ 336.03811 169.8
[M+H-H2O]+ 280.07221 156.1
[M+HCOO]- 342.07315 182.4
[M+CH3COO]- 356.08880 198.3
[M+Na-2H]- 318.04962 171.5
[M]+ 297.07440 166.1
[M]- 297.07550 166.1
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.