CID 247612

6972-74-3

Structural Information

Molecular Formula

C₁₀H₇Cl₂N₃O₂

SMILES

C1=CC(=C(C=C1NC2=CC(=O)NC(=O)N2)Cl)Cl

InChI

InChI=1S/C10H7Cl2N3O2/c11-6-2-1-5(3-7(6)12)13-8-4-9(16)15-10(17)14-8/h1-4H,(H3,13,14,15,16,17)

InChIKey

LIRVMDIXHXAYMS-UHFFFAOYSA-N

Compound name

6-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 270.99155 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]+	271.99883	152.2
[M+Na]+	293.98077	163.9
[M-H]-	269.98427	153.9
[M+NH4]+	289.02537	165.9
[M+K]+	309.95471	155.9
[M+H-H2O]+	253.98881	145.7
[M+HCOO]-	315.98975	164.2
[M+CH3COO]-	330.00540	163.7
[M+Na-2H]-	291.96622	157.7
[M]+	270.99100	152.7
[M]-	270.99210	152.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.