CID 28743112

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

Structural Information

Molecular Formula
C14H15N3O4
SMILES
CCCN1C2=C(C(=CC(=N2)C3CC3)C(=O)O)C(=O)NC1=O
InChI
InChI=1S/C14H15N3O4/c1-2-5-17-11-10(12(18)16-14(17)21)8(13(19)20)6-9(15-11)7-3-4-7/h6-7H,2-5H2,1H3,(H,19,20)(H,16,18,21)
InChIKey
LMQJCPFFNQYZOC-UHFFFAOYSA-N
Compound name
7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.10626 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11354 174.1
[M+Na]+ 312.09548 186.3
[M-H]- 288.09898 176.6
[M+NH4]+ 307.14008 181.2
[M+K]+ 328.06942 178.7
[M+H-H2O]+ 272.10352 165.8
[M+HCOO]- 334.10446 190.3
[M+CH3COO]- 348.12011 201.5
[M+Na-2H]- 310.08093 176.5
[M]+ 289.10571 178.2
[M]- 289.10681 178.2
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.