CID 49256

67050-88-8

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)CCOC2=CC=CC=C2
InChI
InChI=1S/C14H16N2O4/c1-2-14(11(17)15-13(19)16-12(14)18)8-9-20-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,15,16,17,18,19)
InChIKey
JBCMDYNNERDGLT-UHFFFAOYSA-N
Compound name
5-ethyl-5-(2-phenoxyethyl)-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

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 162.6
[M+Na]+ 299.10022 169.5
[M-H]- 275.10372 163.6
[M+NH4]+ 294.14482 176.3
[M+K]+ 315.07416 165.1
[M+H-H2O]+ 259.10826 154.7
[M+HCOO]- 321.10920 178.3
[M+CH3COO]- 335.12485 192.5
[M+Na-2H]- 297.08567 166.0
[M]+ 276.11045 159.9
[M]- 276.11155 159.9
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.