CID 211468

10-morpholinomethylbenedorm

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₃

SMILES

CCC1(C(=O)C=CN(C1=O)CN2CCOCC2)CC

InChI

InChI=1S/C14H22N2O3/c1-3-14(4-2)12(17)5-6-16(13(14)18)11-15-7-9-19-10-8-15/h5-6H,3-4,7-11H2,1-2H3

InChIKey

CRTMJOGETSPLQO-UHFFFAOYSA-N

Compound name

3,3-diethyl-1-(morpholin-4-ylmethyl)pyridine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 266.16306 Da
Monoisotopic Mass: 0.9
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]+	267.170336	162.7
[M+Na]+	289.152278	168.5
[M-H]-	265.155784	166.4
[M+NH4]+	284.196883	177.0
[M+K]+	305.126218	167.2
[M+H-H2O]+	249.160320	154.3
[M+HCOO]-	311.161261	177.3
[M+CH3COO]-	325.176911	196.8
[M+Na-2H]-	287.137726	165.6
[M]+	266.16251142	160.7
[M]-	266.16360858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe