CID 453103

132774-40-4

Structural Information

Molecular Formula
C14H15FN2O3S
SMILES
CC1=C(N(C(=O)NC1=O)COCCF)SC2=CC=CC=C2
InChI
InChI=1S/C14H15FN2O3S/c1-10-12(18)16-14(19)17(9-20-8-7-15)13(10)21-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,16,18,19)
InChIKey
QRLWADJMGAZCRA-UHFFFAOYSA-N
Compound name
1-(2-fluoroethoxymethyl)-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

310.07874 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08602 166.3
[M+Na]+ 333.06796 176.6
[M-H]- 309.07146 168.4
[M+NH4]+ 328.11256 178.6
[M+K]+ 349.04190 170.3
[M+H-H2O]+ 293.07600 157.0
[M+HCOO]- 355.07694 181.3
[M+CH3COO]- 369.09259 200.6
[M+Na-2H]- 331.05341 167.6
[M]+ 310.07819 170.0
[M]- 310.07929 170.0
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.