CID 208646

32723-50-5

Structural Information

Molecular Formula

C₁₃H₁₂N₄

SMILES

CC1=CC(=NN2C1=NN=C2C)C3=CC=CC=C3

InChI

InChI=1S/C13H12N4/c1-9-8-12(11-6-4-3-5-7-11)16-17-10(2)14-15-13(9)17/h3-8H,1-2H3

InChIKey

OPEPMWGAFUNWLE-UHFFFAOYSA-N

Compound name

3,8-dimethyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 224.1062 Da
Monoisotopic Mass: 2.2
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]+	225.11348	149.4
[M+Na]+	247.09542	166.6
[M+NH4]+	242.14002	157.8
[M+K]+	263.06936	160.3
[M-H]-	223.09892	152.7
[M+Na-2H]-	245.08087	159.2
[M]+	224.10565	152.9
[M]-	224.10675	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe