CID 135456221

63549-51-9

Structural Information

Molecular Formula

C₂₀H₁₈N₄

SMILES

C1N(C(=NC2=CC=CC=C2)NN1C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-15H,16H2,(H,21,22)

InChIKey

PZJZKXQHZCCGQN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 314.15314 Da
Monoisotopic Mass: 4.8
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]+	315.16042	173.9
[M+Na]+	337.14236	179.7
[M-H]-	313.14586	182.1
[M+NH4]+	332.18696	184.6
[M+K]+	353.11630	172.1
[M+H-H2O]+	297.15040	161.6
[M+HCOO]-	359.15134	193.9
[M+CH3COO]-	373.16699	183.4
[M+Na-2H]-	335.12781	177.8
[M]+	314.15259	168.5
[M]-	314.15369	168.5

Literature stripe

literature stripe

Patent stripe

patents stripe