CID 6401302

N,4-diphenyl-1h-1,2,3-triazol-5-amine

Structural Information

Molecular Formula

C₁₄H₁₂N₄

SMILES

C1=CC=C(C=C1)C2=NNN=C2NC3=CC=CC=C3

InChI

InChI=1S/C14H12N4/c1-3-7-11(8-4-1)13-14(17-18-16-13)15-12-9-5-2-6-10-12/h1-10H,(H2,15,16,17,18)

InChIKey

ACLZPKMBZBHXJZ-UHFFFAOYSA-N

Compound name

N,5-diphenyl-2H-triazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 8
Patents: 236.1062 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]+	237.11348	153.2
[M+Na]+	259.09542	168.0
[M+NH4]+	254.14002	161.4
[M+K]+	275.06936	161.9
[M-H]-	235.09892	158.4
[M+Na-2H]-	257.08087	164.7
[M]+	236.10565	156.8
[M]-	236.10675	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe