CID 77162

Brn 0882718

Structural Information

Molecular Formula

C₁₂H₁₅N₃O

SMILES

CC1=NN(C(=O)CC1)CCC2=CC=NC=C2

InChI

InChI=1S/C12H15N3O/c1-10-2-3-12(16)15(14-10)9-6-11-4-7-13-8-5-11/h4-5,7-8H,2-3,6,9H2,1H3

InChIKey

NSLJAVZPTLLIER-UHFFFAOYSA-N

Compound name

6-methyl-2-(2-pyridin-4-ylethyl)-4,5-dihydropyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.1215 Da
Monoisotopic Mass: 0.3
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]+	218.12878	150.2
[M+Na]+	240.11072	157.8
[M-H]-	216.11422	152.4
[M+NH4]+	235.15532	164.4
[M+K]+	256.08466	154.0
[M+H-H2O]+	200.11876	140.6
[M+HCOO]-	262.11970	168.7
[M+CH3COO]-	276.13535	188.3
[M+Na-2H]-	238.09617	155.9
[M]+	217.12095	148.6
[M]-	217.12205	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe