CID 215081

Ur 85

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₂

SMILES

CC1=CC=C(C=C1)N2C(=O)NC(=O)N2C3CCCCC3

InChI

InChI=1S/C15H19N3O2/c1-11-7-9-13(10-8-11)18-15(20)16-14(19)17(18)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,16,19,20)

InChIKey

PWUHXMZVMNZCED-UHFFFAOYSA-N

Compound name

1-cyclohexyl-2-(4-methylphenyl)-1,2,4-triazolidine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 273.14774 Da
Monoisotopic Mass: 3.0
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]+	274.155016	163.6
[M+Na]+	296.136958	171.6
[M-H]-	272.140464	168.2
[M+NH4]+	291.181563	176.7
[M+K]+	312.110898	166.0
[M+H-H2O]+	256.145000	153.8
[M+HCOO]-	318.145941	180.6
[M+CH3COO]-	332.161591	174.1
[M+Na-2H]-	294.122406	164.1
[M]+	273.14719142	159.6
[M]-	273.14828858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe