CID 208427

32150-52-0

Structural Information

Molecular Formula

C₁₇H₂₃N₃O₂

SMILES

CCN1C(=O)C(=C(N(C1=O)C2=CC=CC=C2)C)N(CC)CC

InChI

InChI=1S/C17H23N3O2/c1-5-18(6-2)15-13(4)20(14-11-9-8-10-12-14)17(22)19(7-3)16(15)21/h8-12H,5-7H2,1-4H3

InChIKey

NLGFLXKEBMNEDE-UHFFFAOYSA-N

Compound name

5-(diethylamino)-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 301.17902 Da
Monoisotopic Mass: 2.8
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]+	302.186296	171.2
[M+Na]+	324.168238	180.9
[M-H]-	300.171744	177.4
[M+NH4]+	319.212843	184.7
[M+K]+	340.142178	177.1
[M+H-H2O]+	284.176280	161.6
[M+HCOO]-	346.177221	194.1
[M+CH3COO]-	360.192871	213.2
[M+Na-2H]-	322.153686	173.8
[M]+	301.17847142	176.3
[M]-	301.17956858	176.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.