CID 127476

100078-89-5

Structural Information

Molecular Formula

C₁₂H₁₀N₄

SMILES

CC1=NN=C2N1N=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C12H10N4/c1-9-14-15-12-7-11(8-13-16(9)12)10-5-3-2-4-6-10/h2-8H,1H3

InChIKey

ZFHJWSHCGWBMLE-UHFFFAOYSA-N

Compound name

3-methyl-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 210.09055 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	211.09783	144.5
[M+Na]+	233.07977	161.6
[M+NH4]+	228.12437	153.1
[M+K]+	249.05371	155.3
[M-H]-	209.08327	147.8
[M+Na-2H]-	231.06522	154.9
[M]+	210.09000	148.0
[M]-	210.09110	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe