CID 3063360

1,2,4-triazolo(4,3-b)pyridazine, 7-phenyl-

Structural Information

Molecular Formula
C11H8N4
SMILES
C1=CC=C(C=C1)C2=CC3=NN=CN3N=C2
InChI
InChI=1S/C11H8N4/c1-2-4-9(5-3-1)10-6-11-14-12-8-15(11)13-7-10/h1-8H
InChIKey
LNNFYJVOFFKGRE-UHFFFAOYSA-N
Compound name
7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

196.07489 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08217 139.8
[M+Na]+ 219.06411 156.7
[M+NH4]+ 214.10871 148.5
[M+K]+ 235.03805 150.5
[M-H]- 195.06761 143.0
[M+Na-2H]- 217.04956 150.6
[M]+ 196.07434 143.2
[M]- 196.07544 143.2
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

patents stripe