CID 135538597

118946-49-9

Structural Information

Molecular Formula

C₁₄H₁₁N₃O

SMILES

C1=CC=C(C=C1)C2=NN(C(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C14H11N3O/c18-14-15-13(11-7-3-1-4-8-11)16-17(14)12-9-5-2-6-10-12/h1-10H,(H,15,16,18)

InChIKey

QULVOSFFSAYNEF-UHFFFAOYSA-N

Compound name

2,5-diphenyl-4H-1,2,4-triazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 237.09021 Da
Monoisotopic Mass: 2.6
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]+	238.09749	152.8
[M+Na]+	260.07943	168.7
[M+NH4]+	255.12403	160.6
[M+K]+	276.05337	162.8
[M-H]-	236.08293	157.1
[M+Na-2H]-	258.06488	163.7
[M]+	237.08966	156.3
[M]-	237.09076	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe