CID 2766291

7752-45-6

Structural Information

Molecular Formula

C₁₁H₁₁ClN₄

SMILES

CC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H11ClN4/c1-7-6-10(16-11(13)14-7)15-9-4-2-8(12)3-5-9/h2-6H,1H3,(H3,13,14,15,16)

InChIKey

LXQRKCBMOAYRNL-UHFFFAOYSA-N

Compound name

4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 234.06723 Da
Monoisotopic Mass: 2.8
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]+	235.07451	150.9
[M+Na]+	257.05645	160.7
[M-H]-	233.05995	154.9
[M+NH4]+	252.10105	166.4
[M+K]+	273.03039	154.8
[M+H-H2O]+	217.06449	142.7
[M+HCOO]-	279.06543	170.3
[M+CH3COO]-	293.08108	163.1
[M+Na-2H]-	255.04190	157.7
[M]+	234.06668	150.8
[M]-	234.06778	150.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.