CID 3041246

53727-39-2

Structural Information

Molecular Formula

C₁₃H₁₅N₃O₂

SMILES

CN1C=C(C(=O)N(C1=O)C2=CC=CC=C2)N(C)C

InChI

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

InChIKey

HGTNFDRANJNWME-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.11642 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]+	246.123696	152.9
[M+Na]+	268.105638	163.5
[M-H]-	244.109144	159.5
[M+NH4]+	263.150243	168.5
[M+K]+	284.079578	160.6
[M+H-H2O]+	228.113680	143.9
[M+HCOO]-	290.114621	177.3
[M+CH3COO]-	304.130271	200.0
[M+Na-2H]-	266.091086	158.4
[M]+	245.11587142	156.3
[M]-	245.11696858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.