CID 39598

1-morpholinomethylphenobarbital

Structural Information

Molecular Formula
C17H21N3O4
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C17H21N3O4/c1-2-17(13-6-4-3-5-7-13)14(21)18-16(23)20(15(17)22)12-19-8-10-24-11-9-19/h3-7H,2,8-12H2,1H3,(H,18,21,23)
InChIKey
FOEQHWOACOYFPK-UHFFFAOYSA-N
Compound name
5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

331.1532 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16048 179.8
[M+Na]+ 354.14242 191.4
[M+NH4]+ 349.18702 186.0
[M+K]+ 370.11636 184.1
[M-H]- 330.14592 183.2
[M+Na-2H]- 352.12787 185.4
[M]+ 331.15265 182.2
[M]- 331.15375 182.2
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

patents stripe