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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.155346	172.1
[M+Na]+	317.137288	181.8
[M-H]-	293.140794	174.1
[M+NH4]+	312.181893	182.9
[M+K]+	333.111228	175.0
[M+H-H2O]+	277.145330	160.6
[M+HCOO]-	339.146271	189.8
[M+CH3COO]-	353.161921	182.2
[M+Na-2H]-	315.122736	179.3
[M]+	294.14752142	174.5
[M]-	294.14861858	174.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe