CID 475314

Schembl7218800

Structural Information

Molecular Formula
C13H14N2O2S2
SMILES
CC1=C(N(C(=O)NC1=O)CSC)SC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O2S2/c1-9-11(16)14-13(17)15(8-18-2)12(9)19-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,16,17)
InChIKey
WVORWUJIMYWIMP-UHFFFAOYSA-N
Compound name
5-methyl-1-(methylsulfanylmethyl)-6-phenylsulfanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

294.04968 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05696 160.7
[M+Na]+ 317.03890 171.5
[M-H]- 293.04240 164.0
[M+NH4]+ 312.08350 174.1
[M+K]+ 333.01284 163.7
[M+H-H2O]+ 277.04694 153.3
[M+HCOO]- 339.04788 171.4
[M+CH3COO]- 353.06353 197.3
[M+Na-2H]- 315.02435 161.0
[M]+ 294.04913 164.3
[M]- 294.05023 164.3
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

patents stripe