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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11348 150.4
[M+Na]+ 247.09542 162.9
[M-H]- 223.09892 153.9
[M+NH4]+ 242.14002 166.5
[M+K]+ 263.06936 157.3
[M+H-H2O]+ 207.10346 140.7
[M+HCOO]- 269.10440 171.7
[M+CH3COO]- 283.12005 163.5
[M+Na-2H]- 245.08087 157.8
[M]+ 224.10565 153.3
[M]- 224.10675 153.3
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

patents stripe