CID 135511206

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

Structural Information

Molecular Formula
C14H16N2OS2
SMILES
C1CCC(C1)SC2=NC(=CC(=O)N2)CC3=CC=CS3
InChI
InChI=1S/C14H16N2OS2/c17-13-9-10(8-12-6-3-7-18-12)15-14(16-13)19-11-4-1-2-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,15,16,17)
InChIKey
GXOYTQWJSFKVHG-UHFFFAOYSA-N
Compound name
2-cyclopentylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.0704 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07768 164.2
[M+Na]+ 315.05962 173.7
[M-H]- 291.06312 170.7
[M+NH4]+ 310.10422 181.3
[M+K]+ 331.03356 167.6
[M+H-H2O]+ 275.06766 158.0
[M+HCOO]- 337.06860 175.5
[M+CH3COO]- 351.08425 175.5
[M+Na-2H]- 313.04507 160.6
[M]+ 292.06985 164.5
[M]- 292.07095 164.5
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.