CID 3043580

3,3-diethyl-5-naphthalanmorpholinomethyl-2,4-pyridinedione

Structural Information

Molecular Formula

C₂₂H₂₈N₂O₃

SMILES

CCC1(C(=O)C(=CNC1=O)CN2CCOC3C2CC4=CC=CC=C4C3)CC

InChI

InChI=1S/C22H28N2O3/c1-3-22(4-2)20(25)17(13-23-21(22)26)14-24-9-10-27-19-12-16-8-6-5-7-15(16)11-18(19)24/h5-8,13,18-19H,3-4,9-12,14H2,1-2H3,(H,23,26)

InChIKey

OYNFKYMROFETHC-UHFFFAOYSA-N

Compound name

5-(2,3,4a,5,10,10a-hexahydrobenzo[g][1,4]benzoxazin-4-ylmethyl)-3,3-diethyl-1H-pyridine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 368.21 Da
Monoisotopic Mass: 2.6
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]+	369.217276	192.5
[M+Na]+	391.199218	197.6
[M-H]-	367.202724	195.7
[M+NH4]+	386.243823	203.6
[M+K]+	407.173158	192.5
[M+H-H2O]+	351.207260	181.6
[M+HCOO]-	413.208201	200.3
[M+CH3COO]-	427.223851	199.6
[M+Na-2H]-	389.184666	193.6
[M]+	368.20945142	187.8
[M]-	368.21054858	187.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.