CID 11292621

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

Structural Information

Molecular Formula
C23H20N2O3S
SMILES
CC1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)SC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C23H20N2O3S/c1-16-21(26)24-23(27)25(15-28-14-17-8-3-2-4-9-17)22(16)29-20-13-7-11-18-10-5-6-12-19(18)20/h2-13H,14-15H2,1H3,(H,24,26,27)
InChIKey
DTBFFIVMEZXPSN-UHFFFAOYSA-N
Compound name
5-methyl-6-naphthalen-1-ylsulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.11948 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.12676 196.0
[M+Na]+ 427.10870 205.6
[M-H]- 403.11220 202.9
[M+NH4]+ 422.15330 204.7
[M+K]+ 443.08264 197.2
[M+H-H2O]+ 387.11674 185.2
[M+HCOO]- 449.11768 210.0
[M+CH3COO]- 463.13333 205.0
[M+Na-2H]- 425.09415 198.5
[M]+ 404.11893 200.0
[M]- 404.12003 200.0
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.