CID 135480594

Chembl435795

Structural Information

Molecular Formula
C19H14FN5O
SMILES
C1=CC=C(C=C1)/C(=N\O)/C2=NN3C(=NC(=C3C4=CC=C(C=C4)F)N)C=C2
InChI
InChI=1S/C19H14FN5O/c20-14-8-6-13(7-9-14)18-19(21)22-16-11-10-15(23-25(16)18)17(24-26)12-4-2-1-3-5-12/h1-11,26H,21H2/b24-17+
InChIKey
PBCRIASDIBXKSF-JJIBRWJFSA-N
Compound name
(NE)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

347.11823 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12551 179.0
[M+Na]+ 370.10745 188.9
[M-H]- 346.11095 185.4
[M+NH4]+ 365.15205 189.8
[M+K]+ 386.08139 181.4
[M+H-H2O]+ 330.11549 167.2
[M+HCOO]- 392.11643 200.6
[M+CH3COO]- 406.13208 189.3
[M+Na-2H]- 368.09290 183.9
[M]+ 347.11768 178.2
[M]- 347.11878 178.2
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.