CID 162345189

Ns00133112

Structural Information

Molecular Formula

C₁₂H₁₄N₄

SMILES

CC1=CC(=NC(=N)N1C2=CC=C(C=C2)N)C

InChI

InChI=1S/C12H14N4/c1-8-7-9(2)16(12(14)15-8)11-5-3-10(13)4-6-11/h3-7,14H,13H2,1-2H3

InChIKey

HVRAZWHYNHHUDQ-UHFFFAOYSA-N

Compound name

4-(2-imino-4,6-dimethylpyrimidin-1-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.12184 Da
Monoisotopic Mass: 1.1
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]+	215.129116	148.9
[M+Na]+	237.111058	158.9
[M-H]-	213.114564	153.6
[M+NH4]+	232.155663	164.7
[M+K]+	253.084998	153.8
[M+H-H2O]+	197.119100	140.4
[M+HCOO]-	259.120041	172.9
[M+CH3COO]-	273.135691	194.5
[M+Na-2H]-	235.096506	154.9
[M]+	214.12129142	146.8
[M]-	214.12238858	146.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.