CID 16659489

1-(ethoxymethyl)-5-ethyl-6-(tetralin-1-ylmethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)CC2CCCC3=CC=CC=C23
InChI
InChI=1S/C20H26N2O3/c1-3-16-18(22(13-25-4-2)20(24)21-19(16)23)12-15-10-7-9-14-8-5-6-11-17(14)15/h5-6,8,11,15H,3-4,7,9-10,12-13H2,1-2H3,(H,21,23,24)
InChIKey
LUMRXIARVTVTSO-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5-ethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19434 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 183.5
[M+Na]+ 365.18356 191.1
[M-H]- 341.18706 186.6
[M+NH4]+ 360.22816 194.7
[M+K]+ 381.15750 184.9
[M+H-H2O]+ 325.19160 173.5
[M+HCOO]- 387.19254 199.2
[M+CH3COO]- 401.20819 212.0
[M+Na-2H]- 363.16901 185.3
[M]+ 342.19379 184.4
[M]- 342.19489 184.4
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.