CID 6410842

118269-96-8

Structural Information

Molecular Formula

C₁₇H₂₃N₅O

SMILES

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

InChI

InChI=1S/C17H23N5O/c1-13-12-16(14-2-4-15(18)5-3-14)20-21-17(13)19-6-7-22-8-10-23-11-9-22/h2-5,12H,6-11,18H2,1H3,(H,19,21)

InChIKey

IKHUWWDFEZONFW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 313.19025 Da
Monoisotopic Mass: 1.3
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]+	314.197526	177.9
[M+Na]+	336.179468	182.7
[M-H]-	312.182974	182.9
[M+NH4]+	331.224073	185.6
[M+K]+	352.153408	178.1
[M+H-H2O]+	296.187510	165.9
[M+HCOO]-	358.188451	194.8
[M+CH3COO]-	372.204101	186.3
[M+Na-2H]-	334.164916	182.2
[M]+	313.18970142	173.5
[M]-	313.19079858	173.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.