CID 513453

6-(cyclohexene-1-carbonyl)-1-(ethoxymethyl)-5-ethyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)C(=O)C2=CCCCC2
InChI
InChI=1S/C16H22N2O4/c1-3-12-13(14(19)11-8-6-5-7-9-11)18(10-22-4-2)16(21)17-15(12)20/h8H,3-7,9-10H2,1-2H3,(H,17,20,21)
InChIKey
CNRQDGFPXQNLGC-UHFFFAOYSA-N
Compound name
6-(cyclohexene-1-carbonyl)-1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.15796 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.165236 170.3
[M+Na]+ 329.147178 177.4
[M-H]- 305.150684 172.8
[M+NH4]+ 324.191783 181.8
[M+K]+ 345.121118 173.3
[M+H-H2O]+ 289.155220 161.3
[M+HCOO]- 351.156161 187.2
[M+CH3COO]- 365.171811 203.3
[M+Na-2H]- 327.132626 171.0
[M]+ 306.15741142 171.0
[M]- 306.15850858 171.0
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.