CID 13382884

Brn 5587849

Structural Information

Molecular Formula

C₁₃H₁₉N₅O

SMILES

C1CCC(=NNC2=NN=C(C=C2)N3CCOCC3)C1

InChI

InChI=1S/C13H19N5O/c1-2-4-11(3-1)14-15-12-5-6-13(17-16-12)18-7-9-19-10-8-18/h5-6H,1-4,7-10H2,(H,15,16)

InChIKey

SLXIFGSAJLELRG-UHFFFAOYSA-N

Compound name

N-(cyclopentylideneamino)-6-morpholin-4-ylpyridazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.15897 Da
Monoisotopic Mass: 0.9
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]+	262.166246	159.1
[M+Na]+	284.148188	162.1
[M-H]-	260.151694	165.2
[M+NH4]+	279.192793	171.0
[M+K]+	300.122128	160.1
[M+H-H2O]+	244.156230	147.6
[M+HCOO]-	306.157171	177.7
[M+CH3COO]-	320.172821	168.7
[M+Na-2H]-	282.133636	163.5
[M]+	261.15842142	152.4
[M]-	261.15951858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.