CID 215084

Bicarbamimide, 2-alpha-methylbenzyl-3-phenyl-

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₂

SMILES

CC(C1=CC=CC=C1)N2C(=O)NC(=O)N2C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2/c1-12(13-8-4-2-5-9-13)18-15(20)17-16(21)19(18)14-10-6-3-7-11-14/h2-12H,1H3,(H,17,20,21)

InChIKey

VZFDJWKFIUCSRV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 281.11642 Da
Monoisotopic Mass: 2.8
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]+	282.123696	163.4
[M+Na]+	304.105638	172.7
[M-H]-	280.109144	168.8
[M+NH4]+	299.150243	176.0
[M+K]+	320.079578	166.8
[M+H-H2O]+	264.113680	153.5
[M+HCOO]-	326.114621	183.4
[M+CH3COO]-	340.130271	174.7
[M+Na-2H]-	302.091086	166.2
[M]+	281.11587142	163.0
[M]-	281.11696858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe