CID 203669

Brn 0817940

Structural Information

Molecular Formula
C15H20N4S2
SMILES
CC1=CC(=NC(=N1)SCCCSC2=NC(=CC(=N2)C)C)C
InChI
InChI=1S/C15H20N4S2/c1-10-8-11(2)17-14(16-10)20-6-5-7-21-15-18-12(3)9-13(4)19-15/h8-9H,5-7H2,1-4H3
InChIKey
CJPQTYVDZBGCFN-UHFFFAOYSA-N
Compound name
2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropylsulfanyl]-4,6-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.11295 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12023 173.9
[M+Na]+ 343.10217 188.9
[M+NH4]+ 338.14677 181.5
[M+K]+ 359.07611 176.8
[M-H]- 319.10567 177.2
[M+Na-2H]- 341.08762 180.4
[M]+ 320.11240 178.1
[M]- 320.11350 178.1
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.