CID 14724240

7749-49-7

Structural Information

Molecular Formula

C₁₁H₁₀ClN₃O

SMILES

CC1=CC(=NC(=N1)N)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H10ClN3O/c1-7-6-10(15-11(13)14-7)16-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15)

InChIKey

SZVOYWHZVVUJBH-UHFFFAOYSA-N

Compound name

4-(4-chlorophenoxy)-6-methylpyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.05124 Da
Monoisotopic Mass: 2.7
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]+	236.05852	149.4
[M+Na]+	258.04046	160.0
[M-H]-	234.04396	153.5
[M+NH4]+	253.08506	165.1
[M+K]+	274.01440	154.7
[M+H-H2O]+	218.04850	141.3
[M+HCOO]-	280.04944	168.0
[M+CH3COO]-	294.06509	162.1
[M+Na-2H]-	256.02591	155.8
[M]+	235.05069	151.3
[M]-	235.05179	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe