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]+ 274.10872 162.5
[M+Na]+ 296.09066 173.8
[M-H]- 272.09416 167.2
[M+NH4]+ 291.13526 174.0
[M+K]+ 312.06460 166.3
[M+H-H2O]+ 256.09870 150.4
[M+HCOO]- 318.09964 182.3
[M+CH3COO]- 332.11529 173.8
[M+Na-2H]- 294.07611 171.1
[M]+ 273.10089 163.6
[M]- 273.10199 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.