CID 12752764

Dtxsid201028647

Structural Information

Molecular Formula

C₁₂H₁₃N₃O

SMILES

CC1=CC(=NC(=NC2=CC=CC=C2)N1O)C

InChI

InChI=1S/C12H13N3O/c1-9-8-10(2)15(16)12(13-9)14-11-6-4-3-5-7-11/h3-8,16H,1-2H3

InChIKey

DOPYKHFHJUZJBL-UHFFFAOYSA-N

Compound name

1-hydroxy-4,6-dimethyl-N-phenylpyrimidin-2-imine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 215.10587 Da
Monoisotopic Mass: 1.5
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]+	216.113146	147.1
[M+Na]+	238.095088	157.0
[M-H]-	214.098594	152.0
[M+NH4]+	233.139693	163.1
[M+K]+	254.069028	152.9
[M+H-H2O]+	198.103130	138.4
[M+HCOO]-	260.104071	170.9
[M+CH3COO]-	274.119721	190.3
[M+Na-2H]-	236.080536	154.5
[M]+	215.10532142	147.6
[M]-	215.10641858	147.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.