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]+ 307.16524 170.3
[M+Na]+ 329.14718 177.4
[M-H]- 305.15068 172.8
[M+NH4]+ 324.19178 181.8
[M+K]+ 345.12112 173.3
[M+H-H2O]+ 289.15522 161.3
[M+HCOO]- 351.15616 187.2
[M+CH3COO]- 365.17181 203.3
[M+Na-2H]- 327.13263 171.0
[M]+ 306.15741 171.0
[M]- 306.15851 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.