CID 9579309

Chembl136287

Structural Information

Molecular Formula
C25H19FN6
SMILES
C1=CC=C(C=C1)/C(=N\NC2=CC=CC=C2)/C3=NN4C(=NC(=C4C5=CC=C(C=C5)F)N)C=C3
InChI
InChI=1S/C25H19FN6/c26-19-13-11-18(12-14-19)24-25(27)28-22-16-15-21(31-32(22)24)23(17-7-3-1-4-8-17)30-29-20-9-5-2-6-10-20/h1-16,29H,27H2/b30-23+
InChIKey
BHSMKMRAPBOHJS-JJKYIXSRSA-N
Compound name
6-[(E)-N-anilino-C-phenylcarbonimidoyl]-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

422.16553 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.17281 197.9
[M+Na]+ 445.15475 205.8
[M-H]- 421.15825 207.8
[M+NH4]+ 440.19935 205.2
[M+K]+ 461.12869 196.7
[M+H-H2O]+ 405.16279 183.8
[M+HCOO]- 467.16373 220.5
[M+CH3COO]- 481.17938 206.5
[M+Na-2H]- 443.14020 203.3
[M]+ 422.16498 196.2
[M]- 422.16608 196.2
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.