CID 39598

Dtxsid30939298

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

2
Patents

331.1532 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.160476 180.1
[M+Na]+ 354.142418 185.4
[M-H]- 330.145924 184.0
[M+NH4]+ 349.187023 188.9
[M+K]+ 370.116358 181.9
[M+H-H2O]+ 314.150460 169.3
[M+HCOO]- 376.151401 190.9
[M+CH3COO]- 390.167051 205.6
[M+Na-2H]- 352.127866 181.3
[M]+ 331.15265142 174.8
[M]- 331.15374858 174.8
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

patents stripe