CID 48478

66941-24-0

Structural Information

Molecular Formula
C16H20N2O4
SMILES
CCOCCC1(C(=O)NC(=O)NC1=O)CCC2=CC=CC=C2
InChI
InChI=1S/C16H20N2O4/c1-2-22-11-10-16(9-8-12-6-4-3-5-7-12)13(19)17-15(21)18-14(16)20/h3-7H,2,8-11H2,1H3,(H2,17,18,19,20,21)
InChIKey
HNCWRIODBMCKCF-UHFFFAOYSA-N
Compound name
5-(2-ethoxyethyl)-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1423 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 172.8
[M+Na]+ 327.13152 183.4
[M+NH4]+ 322.17612 178.8
[M+K]+ 343.10546 175.7
[M-H]- 303.13502 172.9
[M+Na-2H]- 325.11697 177.9
[M]+ 304.14175 174.1
[M]- 304.14285 174.1
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.