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

1
Patents

233.12766 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13494 154.6
[M+Na]+ 256.11688 164.9
[M-H]- 232.12038 156.4
[M+NH4]+ 251.16148 167.2
[M+K]+ 272.09082 161.6
[M+H-H2O]+ 216.12492 144.1
[M+HCOO]- 278.12586 170.0
[M+CH3COO]- 292.14151 165.9
[M+Na-2H]- 254.10233 159.7
[M]+ 233.12711 154.9
[M]- 233.12821 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