CID 18802050

889941-16-6

Structural Information

Molecular Formula
C15H11N3O4
SMILES
CN1C2=C(C(=CC(=N2)C3=CC=CC=C3)C(=O)O)C(=O)NC1=O
InChI
InChI=1S/C15H11N3O4/c1-18-12-11(13(19)17-15(18)22)9(14(20)21)7-10(16-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,20,21)(H,17,19,22)
InChIKey
DENKARDJQJWKFA-UHFFFAOYSA-N
Compound name
1-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.07495 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08223 166.0
[M+Na]+ 320.06417 181.6
[M+NH4]+ 315.10877 171.2
[M+K]+ 336.03811 176.1
[M-H]- 296.06767 167.2
[M+Na-2H]- 318.04962 172.5
[M]+ 297.07440 168.4
[M]- 297.07550 168.4
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.