CID 725578

15249-82-8

Structural Information

Molecular Formula

C₂₁H₁₆N₂S

SMILES

C1=CC=C(C=C1)C2=CSC(=NC3=CC=CC=C3)N2C4=CC=CC=C4

InChI

InChI=1S/C21H16N2S/c1-4-10-17(11-5-1)20-16-24-21(22-18-12-6-2-7-13-18)23(20)19-14-8-3-9-15-19/h1-16H

InChIKey

HAFRCFZWBMTRDZ-UHFFFAOYSA-N

Compound name

N,3,4-triphenyl-1,3-thiazol-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 328.10342 Da
Monoisotopic Mass: 5.5
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]+	329.11070	176.6
[M+Na]+	351.09264	185.8
[M-H]-	327.09614	189.8
[M+NH4]+	346.13724	191.5
[M+K]+	367.06658	178.3
[M+H-H2O]+	311.10068	166.8
[M+HCOO]-	373.10162	198.7
[M+CH3COO]-	387.11727	188.6
[M+Na-2H]-	349.07809	179.5
[M]+	328.10287	177.7
[M]-	328.10397	177.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.