CID 100785

4-methylprimidone

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

CCC1(C(=O)NCNC1=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C13H16N2O2/c1-3-13(10-6-4-9(2)5-7-10)11(16)14-8-15-12(13)17/h4-7H,3,8H2,1-2H3,(H,14,16)(H,15,17)

InChIKey

QEZWGNXBAXQVJT-UHFFFAOYSA-N

Compound name

5-ethyl-5-(4-methylphenyl)-1,3-diazinane-4,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 232.12119 Da
Monoisotopic Mass: 1.3
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]+	233.12847	154.6
[M+Na]+	255.11041	166.9
[M+NH4]+	250.15501	162.6
[M+K]+	271.08435	158.8
[M-H]-	231.11391	156.1
[M+Na-2H]-	253.09586	161.5
[M]+	232.12064	156.7
[M]-	232.12174	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe