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 171.2
[M+Na]+ 327.13152 177.2
[M-H]- 303.13502 171.8
[M+NH4]+ 322.17612 183.7
[M+K]+ 343.10546 172.3
[M+H-H2O]+ 287.13956 162.8
[M+HCOO]- 349.14050 186.2
[M+CH3COO]- 363.15615 198.5
[M+Na-2H]- 325.11697 173.6
[M]+ 304.14175 169.2
[M]- 304.14285 169.2
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

No patent data available for this compound.