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]+ 290.113536 174.1
[M+Na]+ 312.095478 186.3
[M-H]- 288.098984 176.6
[M+NH4]+ 307.140083 181.2
[M+K]+ 328.069418 178.7
[M+H-H2O]+ 272.103520 165.8
[M+HCOO]- 334.104461 190.3
[M+CH3COO]- 348.120111 201.5
[M+Na-2H]- 310.080926 176.5
[M]+ 289.10571142 178.2
[M]- 289.10680858 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.