CID 208323

31992-01-5

Structural Information

Molecular Formula

C₁₃H₁₅N₃O₂

SMILES

CC1=C(C(=O)NC(=O)N1C2=CC=CC=C2)N(C)C

InChI

InChI=1S/C13H15N3O2/c1-9-11(15(2)3)12(17)14-13(18)16(9)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,17,18)

InChIKey

XAMZAUGUBOIFKY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 245.11642 Da
Monoisotopic Mass: 1.5
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]+	246.123696	153.7
[M+Na]+	268.105638	163.8
[M-H]-	244.109144	158.9
[M+NH4]+	263.150243	168.5
[M+K]+	284.079578	160.0
[M+H-H2O]+	228.113680	145.0
[M+HCOO]-	290.114621	176.5
[M+CH3COO]-	304.130271	197.5
[M+Na-2H]-	266.091086	158.7
[M]+	245.11587142	155.2
[M]-	245.11696858	155.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.