CID 3043941

1,2,4-triazolo(4,3-b)pyridazine, 3,8-dimethyl-6-(4-morpholinyl)-

Structural Information

Molecular Formula
C11H15N5O
SMILES
CC1=CC(=NN2C1=NN=C2C)N3CCOCC3
InChI
InChI=1S/C11H15N5O/c1-8-7-10(15-3-5-17-6-4-15)14-16-9(2)12-13-11(8)16/h7H,3-6H2,1-2H3
InChIKey
YHMTVBXZYCYLCW-UHFFFAOYSA-N
Compound name
4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.12766 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.134936 154.6
[M+Na]+ 256.116878 164.9
[M-H]- 232.120384 156.4
[M+NH4]+ 251.161483 167.2
[M+K]+ 272.090818 161.6
[M+H-H2O]+ 216.124920 144.1
[M+HCOO]- 278.125861 170.0
[M+CH3COO]- 292.141511 165.9
[M+Na-2H]- 254.102326 159.7
[M]+ 233.12711142 154.9
[M]- 233.12820858 154.9
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