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]+ 309.180876 172.3
[M+Na]+ 331.162818 178.6
[M-H]- 307.166324 173.4
[M+NH4]+ 326.207423 183.1
[M+K]+ 347.136758 174.3
[M+H-H2O]+ 291.170860 163.5
[M+HCOO]- 353.171801 187.5
[M+CH3COO]- 367.187451 201.7
[M+Na-2H]- 329.148266 172.4
[M]+ 308.17305142 171.8
[M]- 308.17414858 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.