CID 145874344

4,6-diiodo-5-methoxypyrimidine

Structural Information

Molecular Formula

C₅H₄I₂N₂O

SMILES

COC1=C(N=CN=C1I)I

InChI

InChI=1S/C5H4I2N2O/c1-10-3-4(6)8-2-9-5(3)7/h2H,1H3

InChIKey

VKCLEMSABGVPSR-UHFFFAOYSA-N

Compound name

4,6-diiodo-5-methoxypyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 361.8413 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]+	362.84858	133.9
[M+Na]+	384.83052	129.3
[M-H]-	360.83402	123.9
[M+NH4]+	379.87512	142.3
[M+K]+	400.80446	139.8
[M+H-H2O]+	344.83856	121.8
[M+HCOO]-	406.83950	145.5
[M+CH3COO]-	420.85515	198.9
[M+Na-2H]-	382.81597	124.4
[M]+	361.84075	130.9
[M]-	361.84185	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.