CID 3053351

Acetamide, n-(6-(1-piperidinyl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)-

Structural Information

Molecular Formula
C12H16N6O
SMILES
CC(=O)NC1=NN=C2N1N=C(C=C2)N3CCCCC3
InChI
InChI=1S/C12H16N6O/c1-9(19)13-12-15-14-10-5-6-11(16-18(10)12)17-7-3-2-4-8-17/h5-6H,2-4,7-8H2,1H3,(H,13,15,19)
InChIKey
AWNPTPSPKVTLCY-UHFFFAOYSA-N
Compound name
N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.13855 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14583 159.7
[M+Na]+ 283.12777 167.4
[M-H]- 259.13127 160.6
[M+NH4]+ 278.17237 171.8
[M+K]+ 299.10171 163.1
[M+H-H2O]+ 243.13581 148.7
[M+HCOO]- 305.13675 176.1
[M+CH3COO]- 319.15240 169.6
[M+Na-2H]- 281.11322 164.8
[M]+ 260.13800 157.5
[M]- 260.13910 157.5
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.