CID 39130

42061-68-7

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)COC)C)C2=CC=CC=C2
InChI
InChI=1S/C15H18N2O4/c1-4-15(11-8-6-5-7-9-11)12(18)16(2)14(20)17(10-21-3)13(15)19/h5-9H,4,10H2,1-3H3
InChIKey
HEUUPESYFVKOLK-UHFFFAOYSA-N
Compound name
5-ethyl-1-(methoxymethyl)-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

290.12665 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.133926 163.8
[M+Na]+ 313.115868 173.0
[M-H]- 289.119374 168.2
[M+NH4]+ 308.160473 179.0
[M+K]+ 329.089808 170.2
[M+H-H2O]+ 273.123910 155.7
[M+HCOO]- 335.124851 182.2
[M+CH3COO]- 349.140501 202.8
[M+Na-2H]- 311.101316 166.4
[M]+ 290.12610142 166.0
[M]- 290.12719858 166.0
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