CID 3058107

2,4(1h,3h)-pyridinedione, 3,3-diethyl-5-(hydroxymethyl)-1-(2-(4-morpholinyl)ethyl)-

Structural Information

Molecular Formula
C16H26N2O4
SMILES
CCC1(C(=O)C(=CN(C1=O)CCN2CCOCC2)CO)CC
InChI
InChI=1S/C16H26N2O4/c1-3-16(4-2)14(20)13(12-19)11-18(15(16)21)6-5-17-7-9-22-10-8-17/h11,19H,3-10,12H2,1-2H3
InChIKey
NRPWIXADSASTAT-UHFFFAOYSA-N
Compound name
3,3-diethyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.18927 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.196546 174.8
[M+Na]+ 333.178488 180.0
[M-H]- 309.181994 177.1
[M+NH4]+ 328.223093 186.8
[M+K]+ 349.152428 178.0
[M+H-H2O]+ 293.186530 166.5
[M+HCOO]- 355.187471 187.3
[M+CH3COO]- 369.203121 203.9
[M+Na-2H]- 331.163936 175.8
[M]+ 310.18872142 173.6
[M]- 310.18981858 173.6
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.