CID 3076098

Brn 3620264

Structural Information

Molecular Formula
C17H11ClN4
SMILES
C1=CC=C(C=C1)C2=CC(=NN3C2=NN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H11ClN4/c18-14-8-6-13(7-9-14)16-10-15(12-4-2-1-3-5-12)17-20-19-11-22(17)21-16/h1-11H
InChIKey
OZCPJBGIFFTIPY-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-8-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.06723 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07451 168.9
[M+Na]+ 329.05645 189.1
[M+NH4]+ 324.10105 178.1
[M+K]+ 345.03039 180.4
[M-H]- 305.05995 175.0
[M+Na-2H]- 327.04190 181.6
[M]+ 306.06668 174.2
[M]- 306.06778 174.2
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

No patent data available for this compound.