CID 238753

6-chloro-n-methyl-n-phenylpyrimidin-4-amine

Structural Information

Molecular Formula

C₁₁H₁₀ClN₃

SMILES

CN(C1=CC=CC=C1)C2=CC(=NC=N2)Cl

InChI

InChI=1S/C11H10ClN3/c1-15(9-5-3-2-4-6-9)11-7-10(12)13-8-14-11/h2-8H,1H3

InChIKey

HUUWJLRTQFKVSL-UHFFFAOYSA-N

Compound name

6-chloro-N-methyl-N-phenylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 219.05632 Da
Monoisotopic Mass: 3.2
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]+	220.06360	145.3
[M+Na]+	242.04554	161.6
[M+NH4]+	237.09014	154.8
[M+K]+	258.01948	153.2
[M-H]-	218.04904	150.5
[M+Na-2H]-	240.03099	156.8
[M]+	219.05577	149.6
[M]-	219.05687	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe