CID 263416

5-iodo-2,4-dimethoxypyrimidine

Structural Information

Molecular Formula

C₆H₇IN₂O₂

SMILES

COC1=NC(=NC=C1I)OC

InChI

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

InChIKey

KNTMOGOYRYYUIE-UHFFFAOYSA-N

Compound name

5-iodo-2,4-dimethoxypyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 251
Patents: 265.95523 Da
Monoisotopic Mass: 1.5
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]+	266.96251	136.3
[M+Na]+	288.94445	139.4
[M-H]-	264.94795	131.0
[M+NH4]+	283.98905	150.1
[M+K]+	304.91839	144.5
[M+H-H2O]+	248.95249	125.9
[M+HCOO]-	310.95343	154.4
[M+CH3COO]-	324.96908	185.6
[M+Na-2H]-	286.92990	132.3
[M]+	265.95468	137.2
[M]-	265.95578	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe