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 192.5
[M+Na]+ 391.19922 197.6
[M-H]- 367.20272 195.7
[M+NH4]+ 386.24382 203.6
[M+K]+ 407.17316 192.5
[M+H-H2O]+ 351.20726 181.6
[M+HCOO]- 413.20820 200.3
[M+CH3COO]- 427.22385 199.6
[M+Na-2H]- 389.18467 193.6
[M]+ 368.20945 187.8
[M]- 368.21055 187.8
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.