CID 39965

Hexazinone

Structural Information

Molecular Formula

C₁₂H₂₀N₄O₂

SMILES

CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C

InChI

InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3

InChIKey

CAWXEEYDBZRFPE-UHFFFAOYSA-N

Compound name

3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 105
References: 23501
Patents: 252.15863 Da
Monoisotopic Mass: 1.3
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]+	253.16591	157.5
[M+Na]+	275.14785	169.9
[M+NH4]+	270.19245	163.7
[M+K]+	291.12179	164.5
[M-H]-	251.15135	159.8
[M+Na-2H]-	273.13330	163.4
[M]+	252.15808	159.6
[M]-	252.15918	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe