CID 207573

Brn 0812183

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]+ 247.10773 154.4
[M+Na]+ 269.08967 161.3
[M-H]- 245.09317 157.5
[M+NH4]+ 264.13427 170.8
[M+K]+ 285.06361 157.1
[M+H-H2O]+ 229.09771 146.3
[M+HCOO]- 291.09865 170.7
[M+CH3COO]- 305.11430 165.2
[M+Na-2H]- 267.07512 156.7
[M]+ 246.09990 150.2
[M]- 246.10100 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.