CID 622250

40738-83-8

Structural Information

Molecular Formula

C₆H₇IN₂O₂

SMILES

CN1C=C(C(=O)N(C1=O)C)I

InChI

InChI=1S/C6H7IN2O2/c1-8-3-4(7)5(10)9(2)6(8)11/h3H,1-2H3

InChIKey

XUUVRIXNFFFPCM-UHFFFAOYSA-N

Compound name

5-iodo-1,3-dimethylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 265.95523 Da
Monoisotopic Mass: 0.1
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]+	266.96251	138.3
[M+Na]+	288.94445	144.8
[M+NH4]+	283.98905	141.0
[M+K]+	304.91839	142.7
[M-H]-	264.94795	132.4
[M+Na-2H]-	286.92990	131.7
[M]+	265.95468	136.4
[M]-	265.95578	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe