CID 2735395

N-(4,6-dimethylpyrimidin-2-yl)-n-methylbenzene-1,4-diamine

Structural Information

Molecular Formula

C₁₃H₁₆N₄

SMILES

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

InChI

InChI=1S/C13H16N4/c1-9-8-10(2)16-13(15-9)17(3)12-6-4-11(14)5-7-12/h4-8H,14H2,1-3H3

InChIKey

AYLAFPRFEFNRSP-UHFFFAOYSA-N

Compound name

4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 228.1375 Da
Monoisotopic Mass: 2.3
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]+	229.144776	153.3
[M+Na]+	251.126718	161.8
[M-H]-	227.130224	158.9
[M+NH4]+	246.171323	168.9
[M+K]+	267.100658	158.5
[M+H-H2O]+	211.134760	144.1
[M+HCOO]-	273.135701	177.3
[M+CH3COO]-	287.151351	200.4
[M+Na-2H]-	249.112166	159.0
[M]+	228.13695142	153.2
[M]-	228.13804858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe