CID 11500792

Chembl202912

Structural Information

Molecular Formula

C₈H₁₁IN₂O₄

SMILES

CC1=C(C(=O)NC(=O)N1COCCO)I

InChI

InChI=1S/C8H11IN2O4/c1-5-6(9)7(13)10-8(14)11(5)4-15-3-2-12/h12H,2-4H2,1H3,(H,10,13,14)

InChIKey

UOVWMDHXSJAEOA-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethoxymethyl)-5-iodo-6-methylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 325.97635 Da
Monoisotopic Mass: -0.5
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]+	326.98363	153.3
[M+Na]+	348.96557	156.6
[M-H]-	324.96907	145.8
[M+NH4]+	344.01017	163.7
[M+K]+	364.93951	159.4
[M+H-H2O]+	308.97361	143.0
[M+HCOO]-	370.97455	168.4
[M+CH3COO]-	384.99020	191.4
[M+Na-2H]-	346.95102	145.6
[M]+	325.97580	153.3
[M]-	325.97690	153.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.