CID 9878472

Dimorpholinopyridazinone

Structural Information

Molecular Formula

C₁₂H₁₈N₄O₃

SMILES

C1COCCN1C2=C(C(=O)NN=C2)N3CCOCC3

InChI

InChI=1S/C12H18N4O3/c17-12-11(16-3-7-19-8-4-16)10(9-13-14-12)15-1-5-18-6-2-15/h9H,1-8H2,(H,14,17)

InChIKey

NDHNBHXAALUAAJ-UHFFFAOYSA-N

Compound name

4,5-dimorpholin-4-yl-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 870
Patents: 266.13788 Da
Monoisotopic Mass: -0.8
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]+	267.14516	164.1
[M+Na]+	289.12710	168.4
[M-H]-	265.13060	166.7
[M+NH4]+	284.17170	170.4
[M+K]+	305.10104	166.4
[M+H-H2O]+	249.13514	152.2
[M+HCOO]-	311.13608	173.5
[M+CH3COO]-	325.15173	172.1
[M+Na-2H]-	287.11255	167.9
[M]+	266.13733	156.8
[M]-	266.13843	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe