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

0
Patents

290.12665 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 163.8
[M+Na]+ 313.11587 173.0
[M-H]- 289.11937 168.2
[M+NH4]+ 308.16047 179.0
[M+K]+ 329.08981 170.2
[M+H-H2O]+ 273.12391 155.7
[M+HCOO]- 335.12485 182.2
[M+CH3COO]- 349.14050 202.8
[M+Na-2H]- 311.10132 166.4
[M]+ 290.12610 166.0
[M]- 290.12720 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