CID 215067

Ur 72

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₃

SMILES

COC1CCC(CC1)N2C(=O)NC(=O)N2C3=CC=CC=C3

InChI

InChI=1S/C15H19N3O3/c1-21-13-9-7-12(8-10-13)18-15(20)16-14(19)17(18)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,19,20)

InChIKey

YFODPFBTLNVNLV-UHFFFAOYSA-N

Compound name

1-(4-methoxycyclohexyl)-2-phenyl-1,2,4-triazolidine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 289.14264 Da
Monoisotopic Mass: 2.1
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]+	290.149916	166.2
[M+Na]+	312.131858	174.0
[M-H]-	288.135364	170.9
[M+NH4]+	307.176463	178.5
[M+K]+	328.105798	169.0
[M+H-H2O]+	272.139900	156.3
[M+HCOO]-	334.140841	183.4
[M+CH3COO]-	348.156491	197.1
[M+Na-2H]-	310.117306	166.9
[M]+	289.14209142	163.6
[M]-	289.14318858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe