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]+ 305.149576 171.2
[M+Na]+ 327.131518 177.2
[M-H]- 303.135024 171.8
[M+NH4]+ 322.176123 183.7
[M+K]+ 343.105458 172.3
[M+H-H2O]+ 287.139560 162.8
[M+HCOO]- 349.140501 186.2
[M+CH3COO]- 363.156151 198.5
[M+Na-2H]- 325.116966 173.6
[M]+ 304.14175142 169.2
[M]- 304.14284858 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.