CID 202502

10445-22-4

Structural Information

Molecular Formula

C₁₄H₁₃N₃

SMILES

C1C(N(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C14H13N3/c1-3-7-12(8-4-1)14-11-15-16-17(14)13-9-5-2-6-10-13/h1-10,14H,11H2

InChIKey

TVXXZJVKGCPEGS-UHFFFAOYSA-N

Compound name

1,5-diphenyl-4,5-dihydrotriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 223.11095 Da
Monoisotopic Mass: 3.7
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]+	224.11823	149.3
[M+Na]+	246.10017	157.1
[M-H]-	222.10367	154.8
[M+NH4]+	241.14477	164.5
[M+K]+	262.07411	152.2
[M+H-H2O]+	206.10821	138.9
[M+HCOO]-	268.10915	170.3
[M+CH3COO]-	282.12480	161.3
[M+Na-2H]-	244.08562	155.2
[M]+	223.11040	146.9
[M]-	223.11150	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe