CID 207574

30204-53-6

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C1CN(C(=O)NC1=O)OCCC2=CC=CC=C2
InChI
InChI=1S/C12H14N2O3/c15-11-6-8-14(12(16)13-11)17-9-7-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15,16)
InChIKey
YRYXECXHQVKUMW-UHFFFAOYSA-N
Compound name
1-(2-phenylethoxy)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 152.0
[M+Na]+ 257.089668 158.2
[M-H]- 233.093174 153.9
[M+NH4]+ 252.134273 165.9
[M+K]+ 273.063608 154.6
[M+H-H2O]+ 217.097710 143.3
[M+HCOO]- 279.098651 169.5
[M+CH3COO]- 293.114301 186.7
[M+Na-2H]- 255.075116 156.3
[M]+ 234.09990142 148.9
[M]- 234.10099858 148.9
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.