CID 203670

Pyrimidine, 2,2'-(1,4-butanediylbis(thio))bis(4,6-dimethyl-

Structural Information

Molecular Formula
C16H22N4S2
SMILES
CC1=CC(=NC(=N1)SCCCCSC2=NC(=CC(=N2)C)C)C
InChI
InChI=1S/C16H22N4S2/c1-11-9-12(2)18-15(17-11)21-7-5-6-8-22-16-19-13(3)10-14(4)20-16/h9-10H,5-8H2,1-4H3
InChIKey
ZDTGTZLJMLASKC-UHFFFAOYSA-N
Compound name
2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylbutylsulfanyl]-4,6-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

334.1286 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13588 173.5
[M+Na]+ 357.11782 183.9
[M-H]- 333.12132 175.0
[M+NH4]+ 352.16242 183.8
[M+K]+ 373.09176 175.8
[M+H-H2O]+ 317.12586 164.6
[M+HCOO]- 379.12680 181.6
[M+CH3COO]- 393.14245 211.2
[M+Na-2H]- 355.10327 172.5
[M]+ 334.12805 179.4
[M]- 334.12915 179.4
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.