CID 207573

30204-52-5

Structural Information

Molecular Formula
C13H14N2O3
SMILES
C1CC2=CC=CC=C2C1ON3CCC(=O)NC3=O
InChI
InChI=1S/C13H14N2O3/c16-12-7-8-15(13(17)14-12)18-11-6-5-9-3-1-2-4-10(9)11/h1-4,11H,5-8H2,(H,14,16,17)
InChIKey
FXDWAGIKXDIIGJ-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-1-yloxy)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10045 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 154.4
[M+Na]+ 269.089668 161.3
[M-H]- 245.093174 157.5
[M+NH4]+ 264.134273 170.8
[M+K]+ 285.063608 157.1
[M+H-H2O]+ 229.097710 146.3
[M+HCOO]- 291.098651 170.7
[M+CH3COO]- 305.114301 165.2
[M+Na-2H]- 267.075116 156.7
[M]+ 246.09990142 150.2
[M]- 246.10099858 150.2
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.