CID 11750989

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

Structural Information

Molecular Formula
C25H30N2O3S
SMILES
CC(C)C1=C(N(C(=O)NC1=O)COCC2CCCCC2)SC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C25H30N2O3S/c1-17(2)22-23(28)26-25(29)27(16-30-15-18-9-4-3-5-10-18)24(22)31-21-14-8-12-19-11-6-7-13-20(19)21/h6-8,11-14,17-18H,3-5,9-10,15-16H2,1-2H3,(H,26,28,29)
InChIKey
ZYDIZEVPQBWGCZ-UHFFFAOYSA-N
Compound name
1-(cyclohexylmethoxymethyl)-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

438.19772 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.20500 205.3
[M+Na]+ 461.18694 210.5
[M-H]- 437.19044 210.5
[M+NH4]+ 456.23154 212.3
[M+K]+ 477.16088 203.0
[M+H-H2O]+ 421.19498 194.4
[M+HCOO]- 483.19592 213.4
[M+CH3COO]- 497.21157 211.8
[M+Na-2H]- 459.17239 203.3
[M]+ 438.19717 205.4
[M]- 438.19827 205.4
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.