CID 455583

7-[5-methyl-2-(1-pyrrolidinyl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone

Structural Information

Molecular Formula
C24H30N4O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)N4CCCC4
InChI
InChI=1S/C24H30N4O/c1-19-21-15-16-24(27-17-9-10-18-27)26-28(21)23(25-19)14-8-3-2-7-13-22(29)20-11-5-4-6-12-20/h4-6,11-12,15-16H,2-3,7-10,13-14,17-18H2,1H3
InChIKey
RHYOCTPUTIOWJU-UHFFFAOYSA-N
Compound name
7-(5-methyl-2-pyrrolidin-1-ylimidazo[1,5-b]pyridazin-7-yl)-1-phenylheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.24197 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.24925 198.2
[M+Na]+ 413.23119 204.1
[M-H]- 389.23469 203.2
[M+NH4]+ 408.27579 208.2
[M+K]+ 429.20513 197.2
[M+H-H2O]+ 373.23923 186.2
[M+HCOO]- 435.24017 214.3
[M+CH3COO]- 449.25582 206.2
[M+Na-2H]- 411.21664 195.6
[M]+ 390.24142 200.1
[M]- 390.24252 200.1
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.