CID 3063194

Sr 95494

Structural Information

Molecular Formula

C₁₇H₁₂N₄

SMILES

C1=CC=C(C=C1)C2=CC3=NN=C(N3N=C2)C4=CC=CC=C4

InChI

InChI=1S/C17H12N4/c1-3-7-13(8-4-1)15-11-16-19-20-17(21(16)18-12-15)14-9-5-2-6-10-14/h1-12H

InChIKey

NODJRTZLUSRLKR-UHFFFAOYSA-N

Compound name

3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 272.1062 Da
Monoisotopic Mass: 3.0
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]+	273.11348	162.2
[M+Na]+	295.09542	173.1
[M-H]-	271.09892	168.1
[M+NH4]+	290.14002	175.1
[M+K]+	311.06936	165.7
[M+H-H2O]+	255.10346	150.6
[M+HCOO]-	317.10440	183.1
[M+CH3COO]-	331.12005	173.9
[M+Na-2H]-	293.08087	170.3
[M]+	272.10565	163.1
[M]-	272.10675	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe