CID 96265

17591-59-2

Structural Information

Molecular Formula

C₁₆H₁₆N₄

SMILES

C1=CC=C(C=C1)CC2=NN=C(N2N)CC3=CC=CC=C3

InChI

InChI=1S/C16H16N4/c17-20-15(11-13-7-3-1-4-8-13)18-19-16(20)12-14-9-5-2-6-10-14/h1-10H,11-12,17H2

InChIKey

LEWRWCNIOPKNIL-UHFFFAOYSA-N

Compound name

3,5-dibenzyl-1,2,4-triazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 6
Patents: 264.13748 Da
Monoisotopic Mass: 3.1
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]+	265.14476	162.1
[M+Na]+	287.12670	177.1
[M+NH4]+	282.17130	170.1
[M+K]+	303.10064	170.6
[M-H]-	263.13020	167.6
[M+Na-2H]-	285.11215	172.9
[M]+	264.13693	165.8
[M]-	264.13803	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe