CID 6410711

Brn 3620935

Structural Information

Molecular Formula
C17H12N4O
SMILES
C1=CC=C(C=C1)C2=CC(=NN3C2=NNC3=O)C4=CC=CC=C4
InChI
InChI=1S/C17H12N4O/c22-17-19-18-16-14(12-7-3-1-4-8-12)11-15(20-21(16)17)13-9-5-2-6-10-13/h1-11H,(H,19,22)
InChIKey
LLQJYYHOWANTNX-UHFFFAOYSA-N
Compound name
6,8-diphenyl-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

288.1011 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10838 165.9
[M+Na]+ 311.09032 177.4
[M-H]- 287.09382 171.1
[M+NH4]+ 306.13492 177.8
[M+K]+ 327.06426 169.3
[M+H-H2O]+ 271.09836 154.9
[M+HCOO]- 333.09930 185.7
[M+CH3COO]- 347.11495 177.2
[M+Na-2H]- 309.07577 172.9
[M]+ 288.10055 166.3
[M]- 288.10165 166.3
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

No patent data available for this compound.