CID 640845

50721-47-6

Structural Information

Molecular Formula

C₆H₇ClN₂O₂

SMILES

CCN1C(=O)C=C(NC1=O)Cl

InChI

InChI=1S/C6H7ClN2O2/c1-2-9-5(10)3-4(7)8-6(9)11/h3H,2H2,1H3,(H,8,11)

InChIKey

CDQGLIMPENHTQH-UHFFFAOYSA-N

Compound name

6-chloro-3-ethyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 174.0196 Da
Monoisotopic Mass: 0.4
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]+	175.026876	128.7
[M+Na]+	197.008818	141.0
[M-H]-	173.012324	129.2
[M+NH4]+	192.053423	147.2
[M+K]+	212.982758	136.6
[M+H-H2O]+	157.016860	123.2
[M+HCOO]-	219.017801	146.2
[M+CH3COO]-	233.033451	174.8
[M+Na-2H]-	194.994266	135.4
[M]+	174.01905142	131.0
[M]-	174.02014858	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe