CID 135417244

2-(cyclopentylthio)-6-phenylpyrimidin-4(3h)-one

Structural Information

Molecular Formula
C15H16N2OS
SMILES
C1CCC(C1)SC2=NC(=CC(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C15H16N2OS/c18-14-10-13(11-6-2-1-3-7-11)16-15(17-14)19-12-8-4-5-9-12/h1-3,6-7,10,12H,4-5,8-9H2,(H,16,17,18)
InChIKey
GORZTLGRQMHDAL-UHFFFAOYSA-N
Compound name
2-cyclopentylsulfanyl-4-phenyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.09833 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10561 160.8
[M+Na]+ 295.08755 168.8
[M-H]- 271.09105 166.8
[M+NH4]+ 290.13215 176.0
[M+K]+ 311.06149 162.6
[M+H-H2O]+ 255.09559 152.6
[M+HCOO]- 317.09653 175.8
[M+CH3COO]- 331.11218 171.9
[M+Na-2H]- 293.07300 161.2
[M]+ 272.09778 158.8
[M]- 272.09888 158.8
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.