CID 215318

Brn 0235908

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂

SMILES

C1COCCN1C2=NN(C(=O)C=C2)C3=CC=CC=C3

InChI

InChI=1S/C14H15N3O2/c18-14-7-6-13(16-8-10-19-11-9-16)15-17(14)12-4-2-1-3-5-12/h1-7H,8-11H2

InChIKey

GIUIBIOEEACCSK-UHFFFAOYSA-N

Compound name

6-morpholin-4-yl-2-phenylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.11642 Da
Monoisotopic Mass: 0.7
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]+	258.123696	158.8
[M+Na]+	280.105638	165.8
[M-H]-	256.109144	164.5
[M+NH4]+	275.150243	169.3
[M+K]+	296.079578	162.5
[M+H-H2O]+	240.113680	147.6
[M+HCOO]-	302.114621	175.6
[M+CH3COO]-	316.130271	169.4
[M+Na-2H]-	278.091086	165.2
[M]+	257.11587142	155.7
[M]-	257.11696858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.