CID 11773106

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

Structural Information

Molecular Formula
C20H22N2O3S
SMILES
CCOCN1C(=C(C(=O)NC1=O)C(C)C)SC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C20H22N2O3S/c1-4-25-12-22-19(17(13(2)3)18(23)21-20(22)24)26-16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13H,4,12H2,1-3H3,(H,21,23,24)
InChIKey
FDYKXQIXZJSPEB-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.1351 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14238 186.5
[M+Na]+ 393.12432 195.8
[M-H]- 369.12782 190.5
[M+NH4]+ 388.16892 197.3
[M+K]+ 409.09826 189.0
[M+H-H2O]+ 353.13236 177.4
[M+HCOO]- 415.13330 199.2
[M+CH3COO]- 429.14895 215.6
[M+Na-2H]- 391.10977 187.1
[M]+ 370.13455 191.9
[M]- 370.13565 191.9
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.