CID 6479017

Chembl136909

Structural Information

Molecular Formula
C22H18FN5O
SMILES
CNC(=O)/C=C(\C1=CC=CC=C1)/C2=NN3C(=NC(=C3C4=CC=C(C=C4)F)N)C=C2
InChI
InChI=1S/C22H18FN5O/c1-25-20(29)13-17(14-5-3-2-4-6-14)18-11-12-19-26-22(24)21(28(19)27-18)15-7-9-16(23)10-8-15/h2-13H,24H2,1H3,(H,25,29)/b17-13+
InChIKey
NTYVRHVJNZEXFO-GHRIWEEISA-N
Compound name
(E)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.14954 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15682 192.2
[M+Na]+ 410.13876 200.6
[M-H]- 386.14226 198.2
[M+NH4]+ 405.18336 201.2
[M+K]+ 426.11270 192.6
[M+H-H2O]+ 370.14680 180.1
[M+HCOO]- 432.14774 211.9
[M+CH3COO]- 446.16339 201.1
[M+Na-2H]- 408.12421 194.4
[M]+ 387.14899 191.0
[M]- 387.15009 191.0
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.