CID 11246585

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

Structural Information

Molecular Formula
C21H24N2O4S
SMILES
CC(C)C1=C(N(C(=O)NC1=O)COCCOC)SC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H24N2O4S/c1-14(2)18-19(24)22-21(25)23(13-27-12-11-26-3)20(18)28-17-10-6-8-15-7-4-5-9-16(15)17/h4-10,14H,11-13H2,1-3H3,(H,22,24,25)
InChIKey
HHRZVKXYJIAOON-UHFFFAOYSA-N
Compound name
1-(2-methoxyethoxymethyl)-6-naphthalen-1-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.1457 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.15298 193.9
[M+Na]+ 423.13492 202.4
[M-H]- 399.13842 197.6
[M+NH4]+ 418.17952 203.3
[M+K]+ 439.10886 196.1
[M+H-H2O]+ 383.14296 184.4
[M+HCOO]- 445.14390 206.4
[M+CH3COO]- 459.15955 220.7
[M+Na-2H]- 421.12037 194.3
[M]+ 400.14515 201.0
[M]- 400.14625 201.0
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.