CID 15695

1785-02-0

Structural Information

Molecular Formula

C₂₁H₁₅N₃O₃

SMILES

C1=CC=C(C=C1)N2C(=O)N(C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H15N3O3/c25-19-22(16-10-4-1-5-11-16)20(26)24(18-14-8-3-9-15-18)21(27)23(19)17-12-6-2-7-13-17/h1-15H

InChIKey

YEACGXMAEGBJSM-UHFFFAOYSA-N

Compound name

1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 428
Patents: 357.11133 Da
Monoisotopic Mass: 4.0
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]+	358.118606	185.6
[M+Na]+	380.100548	196.4
[M-H]-	356.104054	195.1
[M+NH4]+	375.145153	193.2
[M+K]+	396.074488	188.8
[M+H-H2O]+	340.108590	172.4
[M+HCOO]-	402.109531	206.3
[M+CH3COO]-	416.125181	196.1
[M+Na-2H]-	378.085996	190.7
[M]+	357.11078142	186.6
[M]-	357.11187858	186.6

Literature stripe

literature stripe

Patent stripe

patents stripe