CID 155909

72585-88-7

Structural Information

Molecular Formula

C₁₁H₁₈N₄O₃

SMILES

CNC1=NC(=O)N(C(=O)N1C)C2CCC(CC2)O

InChI

InChI=1S/C11H18N4O3/c1-12-9-13-10(17)15(11(18)14(9)2)7-3-5-8(16)6-4-7/h7-8,16H,3-6H2,1-2H3,(H,12,13,17)

InChIKey

YLNFKJPRYUIXTG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 0
Patents: 254.1379 Da
Monoisotopic Mass: -0.1
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]+	255.145176	158.4
[M+Na]+	277.127118	167.0
[M-H]-	253.130624	160.3
[M+NH4]+	272.171723	170.8
[M+K]+	293.101058	163.3
[M+H-H2O]+	237.135160	149.5
[M+HCOO]-	299.136101	175.8
[M+CH3COO]-	313.151751	195.7
[M+Na-2H]-	275.112566	161.3
[M]+	254.13735142	156.0
[M]-	254.13844858	156.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.