CID 130702

Sk&f 95654

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₂

SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)N3C=CC(=O)C=C3

InChI

InChI=1S/C16H15N3O2/c1-11-10-15(21)17-18-16(11)12-2-4-13(5-3-12)19-8-6-14(20)7-9-19/h2-9,11H,10H2,1H3,(H,17,21)

InChIKey

OOTPDLYEDHRWNL-UHFFFAOYSA-N

Compound name

4-methyl-3-[4-(4-oxopyridin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 342
Patents: 281.11642 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]+	282.12370	165.9
[M+Na]+	304.10564	182.0
[M+NH4]+	299.15024	172.7
[M+K]+	320.07958	174.4
[M-H]-	280.10914	170.2
[M+Na-2H]-	302.09109	175.4
[M]+	281.11587	169.4
[M]-	281.11697	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe