CID 27193

15302-82-6

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC(C2=CC=CC=C2)O
InChI
InChI=1S/C14H16N2O4/c1-2-14(11(18)15-13(20)16-12(14)19)8-10(17)9-6-4-3-5-7-9/h3-7,10,17H,2,8H2,1H3,(H2,15,16,18,19,20)
InChIKey
SWWWSLBUNHLWMB-UHFFFAOYSA-N
Compound name
5-ethyl-5-(2-hydroxy-2-phenylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.111 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.118276 163.3
[M+Na]+ 299.100218 169.5
[M-H]- 275.103724 163.0
[M+NH4]+ 294.144823 176.2
[M+K]+ 315.074158 164.8
[M+H-H2O]+ 259.108260 156.0
[M+HCOO]- 321.109201 176.5
[M+CH3COO]- 335.124851 191.2
[M+Na-2H]- 297.085666 165.1
[M]+ 276.11045142 158.2
[M]- 276.11154858 158.2
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.