CID 455578

Imidazopyridazine 19

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C21H25N3O2/c1-16-18-14-15-21(26-2)23-24(18)20(22-16)13-9-4-3-8-12-19(25)17-10-6-5-7-11-17/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3
InChIKey
FPNGOACTOIUWQW-UHFFFAOYSA-N
Compound name
7-(2-methoxy-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenylheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

351.19467 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 187.3
[M+Na]+ 374.18389 195.5
[M-H]- 350.18739 190.9
[M+NH4]+ 369.22849 199.1
[M+K]+ 390.15783 189.7
[M+H-H2O]+ 334.19193 176.6
[M+HCOO]- 396.19287 206.7
[M+CH3COO]- 410.20852 215.5
[M+Na-2H]- 372.16934 189.4
[M]+ 351.19412 193.7
[M]- 351.19522 193.7
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

patents stripe