CID 23050730

Schembl10401464

Structural Information

Molecular Formula

C₆H₈ClN₃O₂

SMILES

COC1=NC(=NC(=C1Cl)N)OC

InChI

InChI=1S/C6H8ClN3O2/c1-11-5-3(7)4(8)9-6(10-5)12-2/h1-2H3,(H2,8,9,10)

InChIKey

QYSNPJBHHFSLFG-UHFFFAOYSA-N

Compound name

5-chloro-2,6-dimethoxypyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 189.0305 Da
Monoisotopic Mass: 1.1
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]+	190.037776	135.1
[M+Na]+	212.019718	146.3
[M-H]-	188.023224	136.4
[M+NH4]+	207.064323	153.1
[M+K]+	227.993658	143.6
[M+H-H2O]+	172.027760	128.8
[M+HCOO]-	234.028701	154.2
[M+CH3COO]-	248.044351	183.2
[M+Na-2H]-	210.005166	141.6
[M]+	189.02995142	139.0
[M]-	189.03104858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe