CID 3088391

117903-08-9

Structural Information

Molecular Formula

C₁₃H₁₅N₃O₂

SMILES

CC1=NNC(=O)CC1C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C13H15N3O2/c1-8-12(7-13(18)16-15-8)10-3-5-11(6-4-10)14-9(2)17/h3-6,12H,7H2,1-2H3,(H,14,17)(H,16,18)

InChIKey

WTVKXLVDCXVJMF-UHFFFAOYSA-N

Compound name

N-[4-(3-methyl-6-oxo-4,5-dihydro-1H-pyridazin-4-yl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.11642 Da
Monoisotopic Mass: 0.1
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]+	246.123696	156.4
[M+Na]+	268.105638	163.2
[M-H]-	244.109144	159.2
[M+NH4]+	263.150243	170.1
[M+K]+	284.079578	159.1
[M+H-H2O]+	228.113680	147.9
[M+HCOO]-	290.114621	175.0
[M+CH3COO]-	304.130271	193.7
[M+Na-2H]-	266.091086	159.8
[M]+	245.11587142	152.7
[M]-	245.11696858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.