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

6
Patents

196.07489 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.082166 139.9
[M+Na]+ 219.064108 151.4
[M-H]- 195.067614 142.9
[M+NH4]+ 214.108713 156.5
[M+K]+ 235.038048 146.4
[M+H-H2O]+ 179.072150 130.1
[M+HCOO]- 241.073091 161.9
[M+CH3COO]- 255.088741 153.2
[M+Na-2H]- 217.049556 150.0
[M]+ 196.07434142 141.3
[M]- 196.07543858 141.3
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