CID 9925883

Schembl8192926

Structural Information

Molecular Formula

C₁₇H₂₃N₃O

SMILES

CCC1=NC2=C(C=C1)C(=NC(=O)N2CC)C3CCCCC3

InChI

InChI=1S/C17H23N3O/c1-3-13-10-11-14-15(12-8-6-5-7-9-12)19-17(21)20(4-2)16(14)18-13/h10-12H,3-9H2,1-2H3

InChIKey

QFBNONLZWZUQCN-UHFFFAOYSA-N

Compound name

4-cyclohexyl-1,7-diethylpyrido[2,3-d]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 285.1841 Da
Monoisotopic Mass: 3.7
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]+	286.191376	171.0
[M+Na]+	308.173318	178.5
[M-H]-	284.176824	173.7
[M+NH4]+	303.217923	183.7
[M+K]+	324.147258	172.9
[M+H-H2O]+	268.181360	160.4
[M+HCOO]-	330.182301	185.9
[M+CH3COO]-	344.197951	180.6
[M+Na-2H]-	306.158766	174.3
[M]+	285.18355142	169.1
[M]-	285.18464858	169.1

Literature stripe

literature stripe

Patent stripe

patents stripe