CID 9579261

Chembl109140

Structural Information

Molecular Formula

C₁₉H₂₄N₄O₂

SMILES

CC1=NN=C(C=C1)N2CCC(CC2)CCOC3=CC=C(C=C3)/C=N/O

InChI

InChI=1S/C19H24N4O2/c1-15-2-7-19(22-21-15)23-11-8-16(9-12-23)10-13-25-18-5-3-17(4-6-18)14-20-24/h2-7,14,16,24H,8-13H2,1H3/b20-14+

InChIKey

PHRBHINVXSIXRQ-XSFVSMFZSA-N

Compound name

(NE)-N-[[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 340.1899 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	341.197176	183.6
[M+Na]+	363.179118	188.2
[M-H]-	339.182624	188.0
[M+NH4]+	358.223723	191.9
[M+K]+	379.153058	182.7
[M+H-H2O]+	323.187160	171.2
[M+HCOO]-	385.188101	200.7
[M+CH3COO]-	399.203751	213.1
[M+Na-2H]-	361.164566	186.9
[M]+	340.18935142	181.2
[M]-	340.19044858	181.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.