CID 200793

Ag 246

Structural Information

Molecular Formula

C₁₇H₂₁N₃O₂

SMILES

CC1=CC(=NN(C1=O)CCN2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O2/c1-14-13-16(15-5-3-2-4-6-15)18-20(17(14)21)8-7-19-9-11-22-12-10-19/h2-6,13H,7-12H2,1H3

InChIKey

MQDSAVMMYFZYIT-UHFFFAOYSA-N

Compound name

4-methyl-2-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 299.1634 Da
Monoisotopic Mass: 1.5
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]+	300.170676	172.9
[M+Na]+	322.152618	179.5
[M-H]-	298.156124	178.4
[M+NH4]+	317.197223	182.0
[M+K]+	338.126558	175.4
[M+H-H2O]+	282.160660	161.2
[M+HCOO]-	344.161601	188.6
[M+CH3COO]-	358.177251	182.5
[M+Na-2H]-	320.138066	176.8
[M]+	299.16285142	171.2
[M]-	299.16394858	171.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe