CID 135465930

Chembl407986

Structural Information

Molecular Formula
C19H15N5O
SMILES
C1=CC=C(C=C1)C2=C(N=C3N2N=C(C=C3)/C(=N/O)/C4=CC=CC=C4)N
InChI
InChI=1S/C19H15N5O/c20-19-18(14-9-5-2-6-10-14)24-16(21-19)12-11-15(22-24)17(23-25)13-7-3-1-4-8-13/h1-12,25H,20H2/b23-17+
InChIKey
WDHJLIWOZVPJAM-HAVVHWLPSA-N
Compound name
(NE)-N-[(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

329.12766 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13494 175.1
[M+Na]+ 352.11688 184.0
[M-H]- 328.12038 182.5
[M+NH4]+ 347.16148 186.4
[M+K]+ 368.09082 177.0
[M+H-H2O]+ 312.12492 164.1
[M+HCOO]- 374.12586 197.8
[M+CH3COO]- 388.14151 185.7
[M+Na-2H]- 350.10233 181.4
[M]+ 329.12711 174.8
[M]- 329.12821 174.8
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.