CID 460270

Win49569

Structural Information

Molecular Formula
C17H18N4O
SMILES
CCCCCN1C=CC(=O)C2=CN=C(N=C21)C3=CC=NC=C3
InChI
InChI=1S/C17H18N4O/c1-2-3-4-10-21-11-7-15(22)14-12-19-16(20-17(14)21)13-5-8-18-9-6-13/h5-9,11-12H,2-4,10H2,1H3
InChIKey
FTGIOOUSUOZUCW-UHFFFAOYSA-N
Compound name
8-pentyl-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

294.14807 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 172.1
[M+Na]+ 317.13729 181.8
[M-H]- 293.14079 174.1
[M+NH4]+ 312.18189 182.9
[M+K]+ 333.11123 175.0
[M+H-H2O]+ 277.14533 160.6
[M+HCOO]- 339.14627 189.8
[M+CH3COO]- 353.16192 182.2
[M+Na-2H]- 315.12274 179.3
[M]+ 294.14752 174.5
[M]- 294.14862 174.5
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

patents stripe