CID 3021384

Brn 4458049

Structural Information

Molecular Formula
C13H14N2OS
SMILES
CCC1=CC=CC=C1N2C(=O)C=CN=C2SC
InChI
InChI=1S/C13H14N2OS/c1-3-10-6-4-5-7-11(10)15-12(16)8-9-14-13(15)17-2/h4-9H,3H2,1-2H3
InChIKey
GPAXWLNGLCTBLD-UHFFFAOYSA-N
Compound name
3-(2-ethylphenyl)-2-methylsulfanylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.08269 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08997 154.3
[M+Na]+ 269.07191 170.2
[M+NH4]+ 264.11651 163.0
[M+K]+ 285.04585 160.1
[M-H]- 245.07541 158.4
[M+Na-2H]- 267.05736 163.3
[M]+ 246.08214 158.4
[M]- 246.08324 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.