CID 3021530

4(1h)-pyrimidinone, 5-((dicyclohexylamino)methyl)-2,3-dihydro-2-thioxo-

Structural Information

Molecular Formula
C17H27N3OS
SMILES
C1CCC(CC1)N(CC2=CNC(=S)NC2=O)C3CCCCC3
InChI
InChI=1S/C17H27N3OS/c21-16-13(11-18-17(22)19-16)12-20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11,14-15H,1-10,12H2,(H2,18,19,21,22)
InChIKey
CBCLPOVTEOQJIW-UHFFFAOYSA-N
Compound name
5-[(dicyclohexylamino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

321.18747 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19475 173.8
[M+Na]+ 344.17669 183.7
[M+NH4]+ 339.22129 181.4
[M+K]+ 360.15063 175.0
[M-H]- 320.18019 178.6
[M+Na-2H]- 342.16214 180.0
[M]+ 321.18692 176.7
[M]- 321.18802 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.