CID 11393723

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

Structural Information

Molecular Formula
C18H18N2O3S
SMILES
CCOCN1C(=C(C(=O)NC1=O)C)SC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H18N2O3S/c1-3-23-11-20-17(12(2)16(21)19-18(20)22)24-15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11H2,1-2H3,(H,19,21,22)
InChIKey
IRKAXOYAUQWNIH-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5-methyl-6-naphthalen-1-ylsulfanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.10382 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11110 178.1
[M+Na]+ 365.09304 188.8
[M-H]- 341.09654 182.4
[M+NH4]+ 360.13764 190.2
[M+K]+ 381.06698 181.8
[M+H-H2O]+ 325.10108 169.3
[M+HCOO]- 387.10202 192.6
[M+CH3COO]- 401.11767 208.9
[M+Na-2H]- 363.07849 180.7
[M]+ 342.10327 183.5
[M]- 342.10437 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.