CID 49768193

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

Structural Information

Molecular Formula
C25H24N2O3S
SMILES
CC(C)C1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)SC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C25H24N2O3S/c1-17(2)22-23(28)26-25(29)27(16-30-15-18-8-4-3-5-9-18)24(22)31-21-13-12-19-10-6-7-11-20(19)14-21/h3-14,17H,15-16H2,1-2H3,(H,26,28,29)
InChIKey
RCVODTSZNAXRKV-UHFFFAOYSA-N
Compound name
6-naphthalen-2-ylsulfanyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.15076 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.15804 204.0
[M+Na]+ 455.13998 212.2
[M-H]- 431.14348 210.5
[M+NH4]+ 450.18458 211.5
[M+K]+ 471.11392 204.1
[M+H-H2O]+ 415.14802 193.0
[M+HCOO]- 477.14896 216.3
[M+CH3COO]- 491.16461 212.0
[M+Na-2H]- 453.12543 204.7
[M]+ 432.15021 208.1
[M]- 432.15131 208.1
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.