CID 28743112

1000932-48-8

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 168.0
[M+Na]+ 312.09548 182.5
[M+NH4]+ 307.14008 173.5
[M+K]+ 328.06942 178.9
[M-H]- 288.09898 174.8
[M+Na-2H]- 310.08093 174.2
[M]+ 289.10571 172.9
[M]- 289.10681 172.9
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.