CID 455592

Imidazopyridazine 35

Structural Information

Molecular Formula
C24H27N5O
SMILES
CC1=CN(C=N1)C2=NN3C(=C(N=C3CCCCCCC(=O)C4=CC=CC=C4)C)C=C2
InChI
InChI=1S/C24H27N5O/c1-18-16-28(17-25-18)24-15-14-21-19(2)26-23(29(21)27-24)13-9-4-3-8-12-22(30)20-10-6-5-7-11-20/h5-7,10-11,14-17H,3-4,8-9,12-13H2,1-2H3
InChIKey
AXYBRSVZKOTFTM-UHFFFAOYSA-N
Compound name
7-[5-methyl-2-(4-methylimidazol-1-yl)imidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.22156 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.22884 200.8
[M+Na]+ 424.21078 209.6
[M-H]- 400.21428 205.7
[M+NH4]+ 419.25538 209.3
[M+K]+ 440.18472 201.9
[M+H-H2O]+ 384.21882 188.5
[M+HCOO]- 446.21976 218.2
[M+CH3COO]- 460.23541 209.3
[M+Na-2H]- 422.19623 199.3
[M]+ 401.22101 206.3
[M]- 401.22211 206.3
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.