CID 5746185

70386-07-1

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂

SMILES

CC1CC(=O)NN=C1C2=CC3=C(C=C2)NC(=O)CC3

InChI

InChI=1S/C14H15N3O2/c1-8-6-13(19)16-17-14(8)10-2-4-11-9(7-10)3-5-12(18)15-11/h2,4,7-8H,3,5-6H2,1H3,(H,15,18)(H,16,19)

InChIKey

SLHSCTCINOLPIL-UHFFFAOYSA-N

Compound name

6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-3,4-dihydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 257.11642 Da
Monoisotopic Mass: 0.6
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	161.5
[M+Na]+	280.105638	168.7
[M-H]-	256.109144	161.8
[M+NH4]+	275.150243	173.7
[M+K]+	296.079578	162.4
[M+H-H2O]+	240.113680	152.2
[M+HCOO]-	302.114621	173.4
[M+CH3COO]-	316.130271	170.6
[M+Na-2H]-	278.091086	164.7
[M]+	257.11587142	154.4
[M]-	257.11696858	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe