CID 469197

5-ethyl-1-(methylsulfanylmethyl)-6-(1-naphthylmethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C19H20N2O2S
SMILES
CCC1=C(N(C(=O)NC1=O)CSC)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H20N2O2S/c1-3-15-17(21(12-24-2)19(23)20-18(15)22)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10H,3,11-12H2,1-2H3,(H,20,22,23)
InChIKey
GKFUPUGWXYDAIO-UHFFFAOYSA-N
Compound name
5-ethyl-1-(methylsulfanylmethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.12454 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13182 179.1
[M+Na]+ 363.11376 189.6
[M-H]- 339.11726 183.3
[M+NH4]+ 358.15836 191.4
[M+K]+ 379.08770 181.7
[M+H-H2O]+ 323.12180 170.3
[M+HCOO]- 385.12274 193.1
[M+CH3COO]- 399.13839 189.4
[M+Na-2H]- 361.09921 181.0
[M]+ 340.12399 183.4
[M]- 340.12509 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.