CID 455570

Imidazopyridazine 15h

Structural Information

Molecular Formula
C12H16ClN3O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCO)Cl
InChI
InChI=1S/C12H16ClN3O/c1-9-10-6-7-11(13)15-16(10)12(14-9)5-3-2-4-8-17/h6-7,17H,2-5,8H2,1H3
InChIKey
JTKJTMJVEHVAQB-UHFFFAOYSA-N
Compound name
5-(2-chloro-5-methylimidazo[1,5-b]pyridazin-7-yl)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.09819 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10547 156.3
[M+Na]+ 276.08741 167.8
[M-H]- 252.09091 155.8
[M+NH4]+ 271.13201 173.1
[M+K]+ 292.06135 161.8
[M+H-H2O]+ 236.09545 148.7
[M+HCOO]- 298.09639 171.8
[M+CH3COO]- 312.11204 192.2
[M+Na-2H]- 274.07286 161.0
[M]+ 253.09764 162.2
[M]- 253.09874 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.