CID 455581

Imidazopyridazine 22

Structural Information

Molecular Formula
C21H26N4O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)NC
InChI
InChI=1S/C21H26N4O/c1-16-18-14-15-20(22-2)24-25(18)21(23-16)13-9-4-3-8-12-19(26)17-10-6-5-7-11-17/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3,(H,22,24)
InChIKey
NJPTXYROWWZSGQ-UHFFFAOYSA-N
Compound name
7-[5-methyl-2-(methylamino)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

350.21066 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.21794 187.4
[M+Na]+ 373.19988 194.9
[M-H]- 349.20338 191.0
[M+NH4]+ 368.24448 199.0
[M+K]+ 389.17382 188.4
[M+H-H2O]+ 333.20792 176.6
[M+HCOO]- 395.20886 207.7
[M+CH3COO]- 409.22451 218.5
[M+Na-2H]- 371.18533 190.2
[M]+ 350.21011 191.8
[M]- 350.21121 191.8
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.