CID 488749

6-[(2,6-dichlorophenyl)methyl]-n2-(p-tolyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula

C₁₈H₁₆Cl₂N₄

SMILES

CC1=CC=C(C=C1)NC2=NC(=CC(=N2)N)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C18H16Cl2N4/c1-11-5-7-12(8-6-11)22-18-23-13(10-17(21)24-18)9-14-15(19)3-2-4-16(14)20/h2-8,10H,9H2,1H3,(H3,21,22,23,24)

InChIKey

USKOVVGAVCHSSW-UHFFFAOYSA-N

Compound name

6-[(2,6-dichlorophenyl)methyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 358.0752 Da
Monoisotopic Mass: 5.3
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]+	359.082476	183.9
[M+Na]+	381.064418	194.0
[M-H]-	357.067924	189.9
[M+NH4]+	376.109023	194.7
[M+K]+	397.038358	185.1
[M+H-H2O]+	341.072460	174.1
[M+HCOO]-	403.073401	196.9
[M+CH3COO]-	417.089051	193.7
[M+Na-2H]-	379.049866	187.1
[M]+	358.07465142	186.0
[M]-	358.07574858	186.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.