CID 6410713

Brn 3624653

Structural Information

Molecular Formula
C17H11ClN4O
SMILES
C1=CC=C(C=C1)C2=CC(=NN3C2=NNC3=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H11ClN4O/c18-13-8-6-12(7-9-13)15-10-14(11-4-2-1-3-5-11)16-19-20-17(23)22(16)21-15/h1-10H,(H,20,23)
InChIKey
RMFASOJCFPUNRK-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-8-phenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.06213 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06941 172.8
[M+Na]+ 345.05135 185.8
[M-H]- 321.05485 177.9
[M+NH4]+ 340.09595 184.4
[M+K]+ 361.02529 176.5
[M+H-H2O]+ 305.05939 161.8
[M+HCOO]- 367.06033 187.8
[M+CH3COO]- 381.07598 183.8
[M+Na-2H]- 343.03680 178.4
[M]+ 322.06158 175.6
[M]- 322.06268 175.6
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.