CID 460269

Win48944

Structural Information

Molecular Formula
C16H16N4O
SMILES
CCCCN1C=CC(=O)C2=CN=C(N=C21)C3=CC=NC=C3
InChI
InChI=1S/C16H16N4O/c1-2-3-9-20-10-6-14(21)13-11-18-15(19-16(13)20)12-4-7-17-8-5-12/h4-8,10-11H,2-3,9H2,1H3
InChIKey
FDCAUWDXNHOSES-UHFFFAOYSA-N
Compound name
8-butyl-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

280.13242 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13970 167.7
[M+Na]+ 303.12164 177.8
[M-H]- 279.12514 169.9
[M+NH4]+ 298.16624 179.1
[M+K]+ 319.09558 171.3
[M+H-H2O]+ 263.12968 156.4
[M+HCOO]- 325.13062 185.8
[M+CH3COO]- 339.14627 178.3
[M+Na-2H]- 301.10709 175.4
[M]+ 280.13187 169.7
[M]- 280.13297 169.7
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.