CID 6453365

56611-54-2

Structural Information

Molecular Formula

C₁₁H₁₈N₄O₂

SMILES

CNC1=NC(=O)N(C(=O)N1C)C2CCCCC2

InChI

InChI=1S/C11H18N4O2/c1-12-9-13-10(16)15(11(17)14(9)2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,12,13,16)

InChIKey

YCIQIUHJVFRTTB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 2
Patents: 238.14297 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]+	239.150246	154.7
[M+Na]+	261.132188	162.9
[M-H]-	237.135694	157.5
[M+NH4]+	256.176793	168.2
[M+K]+	277.106128	159.4
[M+H-H2O]+	221.140230	145.3
[M+HCOO]-	283.141171	173.4
[M+CH3COO]-	297.156821	194.5
[M+Na-2H]-	259.117636	158.7
[M]+	238.14242142	152.2
[M]-	238.14351858	152.2

Literature stripe

literature stripe

Patent stripe

patents stripe