CID 25584999

7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-1h,2h,3h,4h-pyrido[2,3-d]pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C15H17N3O4
SMILES
CC(C)CN1C2=C(C(=CC(=N2)C3CC3)C(=O)O)C(=O)NC1=O
InChI
InChI=1S/C15H17N3O4/c1-7(2)6-18-12-11(13(19)17-15(18)22)9(14(20)21)5-10(16-12)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,20,21)(H,17,19,22)
InChIKey
UEPTUOSDEZPFLU-UHFFFAOYSA-N
Compound name
7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12192 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12920 176.8
[M+Na]+ 326.11114 188.3
[M-H]- 302.11464 179.2
[M+NH4]+ 321.15574 183.3
[M+K]+ 342.08508 181.0
[M+H-H2O]+ 286.11918 168.7
[M+HCOO]- 348.12012 191.9
[M+CH3COO]- 362.13577 205.2
[M+Na-2H]- 324.09659 177.8
[M]+ 303.12137 180.8
[M]- 303.12247 180.8
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.