CID 208325

31992-03-7

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₂

SMILES

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

InChI

InChI=1S/C15H19N3O2/c1-5-17-14(19)13(16(3)4)11(2)18(15(17)20)12-9-7-6-8-10-12/h6-10H,5H2,1-4H3

InChIKey

LACNYROKODNCOD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 273.14774 Da
Monoisotopic Mass: 2.0
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]+	274.155016	161.9
[M+Na]+	296.136958	172.5
[M-H]-	272.140464	168.6
[M+NH4]+	291.181563	176.7
[M+K]+	312.110898	169.2
[M+H-H2O]+	256.145000	152.8
[M+HCOO]-	318.145941	185.6
[M+CH3COO]-	332.161591	207.2
[M+Na-2H]-	294.122406	165.6
[M]+	273.14719142	166.4
[M]-	273.14828858	166.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.