CID 492045

Chembl416486

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CCCOC1=NC(=CC(=O)N1C)CC23CCCCC2O3
InChI
InChI=1S/C15H22N2O3/c1-3-8-19-14-16-11(9-13(18)17(14)2)10-15-7-5-4-6-12(15)20-15/h9,12H,3-8,10H2,1-2H3
InChIKey
DZIJNQSZEMAROJ-UHFFFAOYSA-N
Compound name
3-methyl-6-(7-oxabicyclo[4.1.0]heptan-1-ylmethyl)-2-propoxypyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

278.16306 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 173.0
[M+Na]+ 301.15228 182.8
[M-H]- 277.15578 178.8
[M+NH4]+ 296.19688 183.5
[M+K]+ 317.12622 180.4
[M+H-H2O]+ 261.16032 164.3
[M+HCOO]- 323.16126 189.5
[M+CH3COO]- 337.17691 202.3
[M+Na-2H]- 299.13773 178.1
[M]+ 278.16251 178.5
[M]- 278.16361 178.5
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.