CID 3076097

Tetrazolo(1,5-b)pyridazine, 6,8-diphenyl-

Structural Information

Molecular Formula
C16H11N5
SMILES
C1=CC=C(C=C1)C2=CC(=NN3C2=NN=N3)C4=CC=CC=C4
InChI
InChI=1S/C16H11N5/c1-3-7-12(8-4-1)14-11-15(13-9-5-2-6-10-13)18-21-16(14)17-19-20-21/h1-11H
InChIKey
RZTXJKNPZWBOQX-UHFFFAOYSA-N
Compound name
6,8-diphenyltetrazolo[1,5-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.10144 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.108716 162.5
[M+Na]+ 296.090658 173.8
[M-H]- 272.094164 167.2
[M+NH4]+ 291.135263 174.0
[M+K]+ 312.064598 166.3
[M+H-H2O]+ 256.098700 150.4
[M+HCOO]- 318.099641 182.3
[M+CH3COO]- 332.115291 173.8
[M+Na-2H]- 294.076106 171.1
[M]+ 273.10089142 163.6
[M]- 273.10198858 163.6
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.