CID 513450

6-(cyclohex-1-enyl-hydroxymethyl)-1-ethoxymethyl-5-ethyl-1h-pyrimidine-2,4,-dione

Structural Information

Molecular Formula
C16H24N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)C(C2=CCCCC2)O
InChI
InChI=1S/C16H24N2O4/c1-3-12-13(14(19)11-8-6-5-7-9-11)18(10-22-4-2)16(21)17-15(12)20/h8,14,19H,3-7,9-10H2,1-2H3,(H,17,20,21)
InChIKey
GTQVDZWTMCLLCI-UHFFFAOYSA-N
Compound name
6-[cyclohexen-1-yl(hydroxy)methyl]-1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.1736 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 172.3
[M+Na]+ 331.16282 178.6
[M-H]- 307.16632 173.4
[M+NH4]+ 326.20742 183.1
[M+K]+ 347.13676 174.3
[M+H-H2O]+ 291.17086 163.5
[M+HCOO]- 353.17180 187.5
[M+CH3COO]- 367.18745 201.7
[M+Na-2H]- 329.14827 172.4
[M]+ 308.17305 171.8
[M]- 308.17415 171.8
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.