CID 13353539

93669-68-2

Structural Information

Molecular Formula

C₁₂H₁₂ClN₃

SMILES

CC1=CC(=NC(=N1)N(C)C2=CC=CC=C2)Cl

InChI

InChI=1S/C12H12ClN3/c1-9-8-11(13)15-12(14-9)16(2)10-6-4-3-5-7-10/h3-8H,1-2H3

InChIKey

VSLQXADGAKIBPO-UHFFFAOYSA-N

Compound name

4-chloro-N,6-dimethyl-N-phenylpyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.07198 Da
Monoisotopic Mass: 3.6
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]+	234.079256	149.7
[M+Na]+	256.061198	159.1
[M-H]-	232.064704	155.2
[M+NH4]+	251.105803	166.2
[M+K]+	272.035138	154.8
[M+H-H2O]+	216.069240	141.1
[M+HCOO]-	278.070181	168.9
[M+CH3COO]-	292.085831	162.6
[M+Na-2H]-	254.046646	156.8
[M]+	233.07143142	152.5
[M]-	233.07252858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe