CID 11280631

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

Structural Information

Molecular Formula
C20H22N2O4S
SMILES
CC(C)C1=C(N(C(=O)NC1=O)COCCO)SC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H22N2O4S/c1-13(2)17-18(24)21-20(25)22(12-26-11-10-23)19(17)27-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,23H,10-12H2,1-2H3,(H,21,24,25)
InChIKey
JEGPHTTZJABMML-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-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

386.13004 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13732 189.4
[M+Na]+ 409.11926 197.9
[M-H]- 385.12276 191.9
[M+NH4]+ 404.16386 198.7
[M+K]+ 425.09320 191.0
[M+H-H2O]+ 369.12730 180.4
[M+HCOO]- 431.12824 200.8
[M+CH3COO]- 445.14389 215.6
[M+Na-2H]- 407.10471 189.9
[M]+ 386.12949 194.4
[M]- 386.13059 194.4
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.