CID 3052628

3(2h)-pyridazinone, 2-methyl-5-morpholino-4-pentoxy-

Structural Information

Molecular Formula

C₁₄H₂₃N₃O₃

SMILES

CCCCCOC1=C(C=NN(C1=O)C)N2CCOCC2

InChI

InChI=1S/C14H23N3O3/c1-3-4-5-8-20-13-12(11-15-16(2)14(13)18)17-6-9-19-10-7-17/h11H,3-10H2,1-2H3

InChIKey

IVWGULGPHCVFES-UHFFFAOYSA-N

Compound name

2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 281.17395 Da
Monoisotopic Mass: 1.4
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]+	282.181226	167.9
[M+Na]+	304.163168	174.4
[M-H]-	280.166674	170.4
[M+NH4]+	299.207773	178.4
[M+K]+	320.137108	172.5
[M+H-H2O]+	264.171210	157.6
[M+HCOO]-	326.172151	183.7
[M+CH3COO]-	340.187801	200.2
[M+Na-2H]-	302.148616	171.3
[M]+	281.17340142	169.5
[M]-	281.17449858	169.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.