CID 49359

67114-17-4

Structural Information

Molecular Formula
C13H14N2O4
SMILES
COCCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C13H14N2O4/c1-19-8-7-13(9-5-3-2-4-6-9)10(16)14-12(18)15-11(13)17/h2-6H,7-8H2,1H3,(H2,14,15,16,17,18)
InChIKey
VOCFFQFTNNKIFS-UHFFFAOYSA-N
Compound name
5-(2-methoxyethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.09537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.102646 158.3
[M+Na]+ 285.084588 165.7
[M-H]- 261.088094 159.5
[M+NH4]+ 280.129193 172.6
[M+K]+ 301.058528 161.4
[M+H-H2O]+ 245.092630 150.5
[M+HCOO]- 307.093571 174.4
[M+CH3COO]- 321.109221 189.5
[M+Na-2H]- 283.070036 162.2
[M]+ 262.09482142 155.2
[M]- 262.09591858 155.2
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.