CID 3076099

Brn 3619881

Structural Information

Molecular Formula
C18H14N4
SMILES
CC1=NN=C2N1N=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H14N4/c1-13-19-20-18-16(14-8-4-2-5-9-14)12-17(21-22(13)18)15-10-6-3-7-11-15/h2-12H,1H3
InChIKey
SCQCHVXMBQZNNS-UHFFFAOYSA-N
Compound name
3-methyl-6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.12186 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12914 167.7
[M+Na]+ 309.11108 179.0
[M-H]- 285.11458 173.8
[M+NH4]+ 304.15568 180.4
[M+K]+ 325.08502 171.4
[M+H-H2O]+ 269.11912 156.1
[M+HCOO]- 331.12006 188.2
[M+CH3COO]- 345.13571 179.2
[M+Na-2H]- 307.09653 174.4
[M]+ 286.12131 169.3
[M]- 286.12241 169.3
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.