CID 11405612

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

Structural Information

Molecular Formula
C19H20N2O3S
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)SC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H20N2O3S/c1-3-14-17(22)20-19(23)21(12-24-4-2)18(14)25-16-11-7-9-13-8-5-6-10-15(13)16/h5-11H,3-4,12H2,1-2H3,(H,20,22,23)
InChIKey
ARDDRBDDUXINQI-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5-ethyl-6-naphthalen-1-ylsulfanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.11948 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12676 182.5
[M+Na]+ 379.10870 192.6
[M-H]- 355.11220 186.6
[M+NH4]+ 374.15330 194.0
[M+K]+ 395.08264 185.4
[M+H-H2O]+ 339.11674 173.4
[M+HCOO]- 401.11768 196.6
[M+CH3COO]- 415.13333 211.8
[M+Na-2H]- 377.09415 184.5
[M]+ 356.11893 188.1
[M]- 356.12003 188.1
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.