CID 3063188

Sr 95252

Structural Information

Molecular Formula
C13H12N4
SMILES
CC1=NN=C2N1N=CC(=C2)CC3=CC=CC=C3
InChI
InChI=1S/C13H12N4/c1-10-15-16-13-8-12(9-14-17(10)13)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3
InChIKey
MIPPVKUPADVFSK-UHFFFAOYSA-N
Compound name
7-benzyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.1062 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11348 149.1
[M+Na]+ 247.09542 165.9
[M+NH4]+ 242.14002 157.5
[M+K]+ 263.06936 159.4
[M-H]- 223.09892 152.3
[M+Na-2H]- 245.08087 159.1
[M]+ 224.10565 152.5
[M]- 224.10675 152.5
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.