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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 193.0
[M+Na]+ 391.19922 205.7
[M+NH4]+ 386.24382 201.5
[M+K]+ 407.17316 195.9
[M-H]- 367.20272 197.5
[M+Na-2H]- 389.18467 196.6
[M]+ 368.20945 196.1
[M]- 368.21055 196.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.