CID 135511207

2-cyclohexylsulfanyl-4-(2-thienylmethyl)-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C15H18N2OS2
SMILES
C1CCC(CC1)SC2=NC(=CC(=O)N2)CC3=CC=CS3
InChI
InChI=1S/C15H18N2OS2/c18-14-10-11(9-13-7-4-8-19-13)16-15(17-14)20-12-5-2-1-3-6-12/h4,7-8,10,12H,1-3,5-6,9H2,(H,16,17,18)
InChIKey
PEUAHOFEUGEFSG-UHFFFAOYSA-N
Compound name
2-cyclohexylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.08606 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09334 166.4
[M+Na]+ 329.07528 173.9
[M-H]- 305.07878 171.6
[M+NH4]+ 324.11988 180.6
[M+K]+ 345.04922 166.9
[M+H-H2O]+ 289.08332 159.1
[M+HCOO]- 351.08426 174.9
[M+CH3COO]- 365.09991 176.2
[M+Na-2H]- 327.06073 164.3
[M]+ 306.08551 164.3
[M]- 306.08661 164.3
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.