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]+ 311.19655 174.8
[M+Na]+ 333.17849 180.0
[M-H]- 309.18199 177.1
[M+NH4]+ 328.22309 186.8
[M+K]+ 349.15243 178.0
[M+H-H2O]+ 293.18653 166.5
[M+HCOO]- 355.18747 187.3
[M+CH3COO]- 369.20312 203.9
[M+Na-2H]- 331.16394 175.8
[M]+ 310.18872 173.6
[M]- 310.18982 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.