CID 16095243

1-(ethoxymethyl)-5-ethyl-6-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C19H24N2O5
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)CC2=CC(=CC=C2)OCC3CO3
InChI
InChI=1S/C19H24N2O5/c1-3-16-17(21(12-24-4-2)19(23)20-18(16)22)9-13-6-5-7-14(8-13)25-10-15-11-26-15/h5-8,15H,3-4,9-12H2,1-2H3,(H,20,22,23)
InChIKey
UMCAPWQWXWFJTE-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5-ethyl-6-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.16852 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17580 189.6
[M+Na]+ 383.15774 200.0
[M-H]- 359.16124 197.0
[M+NH4]+ 378.20234 193.5
[M+K]+ 399.13168 194.9
[M+H-H2O]+ 343.16578 179.5
[M+HCOO]- 405.16672 208.7
[M+CH3COO]- 419.18237 215.4
[M+Na-2H]- 381.14319 191.4
[M]+ 360.16797 198.6
[M]- 360.16907 198.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.