CID 623397

1,2,4-triazolo(4,3-b)pyridazine, 6,8-diphenyl-

Structural Information

Molecular Formula
C17H12N4
SMILES
C1=CC=C(C=C1)C2=CC(=NN3C2=NN=C3)C4=CC=CC=C4
InChI
InChI=1S/C17H12N4/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)20-21-12-18-19-17(15)21/h1-12H
InChIKey
COTTUUYZJCGMPG-UHFFFAOYSA-N
Compound name
6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1062 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.