CID 3053258

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

Structural Information

Molecular Formula
C13H18N6O
SMILES
CCC(=O)NC1=NN=C2N1N=C(C=C2)N3CCCCC3
InChI
InChI=1S/C13H18N6O/c1-2-12(20)14-13-16-15-10-6-7-11(17-19(10)13)18-8-4-3-5-9-18/h6-7H,2-5,8-9H2,1H3,(H,14,16,20)
InChIKey
GHDLRZMOLPPMMT-UHFFFAOYSA-N
Compound name
N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1542 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.16148 164.0
[M+Na]+ 297.14342 171.3
[M-H]- 273.14692 164.8
[M+NH4]+ 292.18802 175.5
[M+K]+ 313.11736 166.7
[M+H-H2O]+ 257.15146 152.8
[M+HCOO]- 319.15240 180.0
[M+CH3COO]- 333.16805 173.4
[M+Na-2H]- 295.12887 168.6
[M]+ 274.15365 162.1
[M]- 274.15475 162.1
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.