CID 11439292

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

Structural Information

Molecular Formula
C18H18N2O3S
SMILES
CCC1=C(N(C(=O)NC1=O)COC)SC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H18N2O3S/c1-3-15-16(21)19-18(22)20(11-23-2)17(15)24-14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,3,11H2,1-2H3,(H,19,21,22)
InChIKey
XWJFMKNUVIWHKD-UHFFFAOYSA-N
Compound name
5-ethyl-1-(methoxymethyl)-6-naphthalen-2-ylsulfanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.10382 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.111096 178.1
[M+Na]+ 365.093038 188.8
[M-H]- 341.096544 182.4
[M+NH4]+ 360.137643 190.2
[M+K]+ 381.066978 181.8
[M+H-H2O]+ 325.101080 169.3
[M+HCOO]- 387.102021 192.6
[M+CH3COO]- 401.117671 208.9
[M+Na-2H]- 363.078486 180.7
[M]+ 342.10327142 183.5
[M]- 342.10436858 183.5
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.