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 169.6
[M+Na]+ 343.10217 180.4
[M-H]- 319.10567 171.2
[M+NH4]+ 338.14677 180.4
[M+K]+ 359.07611 172.5
[M+H-H2O]+ 303.11021 160.8
[M+HCOO]- 365.11115 178.0
[M+CH3COO]- 379.12680 179.6
[M+Na-2H]- 341.08762 169.0
[M]+ 320.11240 175.2
[M]- 320.11350 175.2
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.