CID 11371717

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

Structural Information

Molecular Formula
C19H20N2O3S
SMILES
CC(C)C1=C(N(C(=O)NC1=O)COC)SC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C19H20N2O3S/c1-12(2)16-17(22)20-19(23)21(11-24-3)18(16)25-15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12H,11H2,1-3H3,(H,20,22,23)
InChIKey
ZFQDSHSTAWTPEE-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-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

356.11948 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12676 182.2
[M+Na]+ 379.10870 191.9
[M-H]- 355.11220 186.3
[M+NH4]+ 374.15330 193.6
[M+K]+ 395.08264 185.3
[M+H-H2O]+ 339.11674 173.3
[M+HCOO]- 401.11768 195.2
[M+CH3COO]- 415.13333 212.7
[M+Na-2H]- 377.09415 183.3
[M]+ 356.11893 187.3
[M]- 356.12003 187.3
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.