CID 218081

Cm 30073

Structural Information

Molecular Formula

C₁₈H₂₄N₄O₂

SMILES

CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H24N4O2/c1-14-13-17(15-3-5-16(23-2)6-4-15)20-21-18(14)19-7-8-22-9-11-24-12-10-22/h3-6,13H,7-12H2,1-2H3,(H,19,21)

InChIKey

NQIUNIFYLMJSOR-UHFFFAOYSA-N

Compound name

6-(4-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 328.1899 Da
Monoisotopic Mass: 2.0
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]+	329.19718	181.5
[M+Na]+	351.17912	186.4
[M-H]-	327.18262	186.7
[M+NH4]+	346.22372	189.0
[M+K]+	367.15306	182.6
[M+H-H2O]+	311.18716	169.2
[M+HCOO]-	373.18810	197.7
[M+CH3COO]-	387.20375	190.0
[M+Na-2H]-	349.16457	185.6
[M]+	328.18935	180.2
[M]-	328.19045	180.2

Literature stripe

literature stripe

Patent stripe

patents stripe