CID 66569543

1353945-20-6

Structural Information

Molecular Formula

C₇H₁₀ClN₃O

SMILES

CN(C)C1=NC=C(C(=N1)Cl)OC

InChI

InChI=1S/C7H10ClN3O/c1-11(2)7-9-4-5(12-3)6(8)10-7/h4H,1-3H3

InChIKey

YCYQCEBMTBCORO-UHFFFAOYSA-N

Compound name

4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 187.05124 Da
Monoisotopic Mass: 1.6
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]+	188.058516	135.9
[M+Na]+	210.040458	146.0
[M-H]-	186.043964	138.6
[M+NH4]+	205.085063	154.7
[M+K]+	226.014398	144.2
[M+H-H2O]+	170.048500	129.0
[M+HCOO]-	232.049441	155.6
[M+CH3COO]-	246.065091	187.1
[M+Na-2H]-	208.025906	143.0
[M]+	187.05069142	140.6
[M]-	187.05178858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe