CID 189892

Im-mipph

Structural Information

Molecular Formula
C23H25N5O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)N4C=CN=C4
InChI
InChI=1S/C23H25N5O/c1-18-20-13-14-23(27-16-15-24-17-27)26-28(20)22(25-18)12-8-3-2-7-11-21(29)19-9-5-4-6-10-19/h4-6,9-10,13-17H,2-3,7-8,11-12H2,1H3
InChIKey
IOUDUHWREIAEKP-UHFFFAOYSA-N
Compound name
7-(2-imidazol-1-yl-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenylheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.2059 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.21318 195.5
[M+Na]+ 410.19512 203.8
[M-H]- 386.19862 200.2
[M+NH4]+ 405.23972 204.3
[M+K]+ 426.16906 196.4
[M+H-H2O]+ 370.20316 183.1
[M+HCOO]- 432.20410 213.2
[M+CH3COO]- 446.21975 204.2
[M+Na-2H]- 408.18057 195.3
[M]+ 387.20535 200.3
[M]- 387.20645 200.3
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.