CID 207570

2,4(1h,3h)-pyrimidinedione, 5,6-dihydro-1-((benzodioxol-5-yl)methoxy)-

Structural Information

Molecular Formula
C12H12N2O5
SMILES
C1CN(C(=O)NC1=O)OCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C12H12N2O5/c15-11-3-4-14(12(16)13-11)19-6-8-1-2-9-10(5-8)18-7-17-9/h1-2,5H,3-4,6-7H2,(H,13,15,16)
InChIKey
KENLGTSGGVNTQC-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-ylmethoxy)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.07462 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.081896 155.2
[M+Na]+ 287.063838 162.5
[M-H]- 263.067344 159.7
[M+NH4]+ 282.108443 168.0
[M+K]+ 303.037778 161.6
[M+H-H2O]+ 247.071880 147.4
[M+HCOO]- 309.072821 170.3
[M+CH3COO]- 323.088471 190.9
[M+Na-2H]- 285.049286 159.4
[M]+ 264.07407142 154.8
[M]- 264.07516858 154.8
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.