CID 464581

172469-93-1

Structural Information

Molecular Formula
C15H18N2OS
SMILES
CCC1=CNC(=O)C(=C1SC2=CC(=CC(=C2)C)C)N
InChI
InChI=1S/C15H18N2OS/c1-4-11-8-17-15(18)13(16)14(11)19-12-6-9(2)5-10(3)7-12/h5-8H,4,16H2,1-3H3,(H,17,18)
InChIKey
GPJGVIKLPBQYJX-UHFFFAOYSA-N
Compound name
3-amino-4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

274.11398 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12126 162.1
[M+Na]+ 297.10320 172.0
[M-H]- 273.10670 166.7
[M+NH4]+ 292.14780 177.3
[M+K]+ 313.07714 165.2
[M+H-H2O]+ 257.11124 154.7
[M+HCOO]- 319.11218 178.8
[M+CH3COO]- 333.12783 200.3
[M+Na-2H]- 295.08865 162.1
[M]+ 274.11343 163.3
[M]- 274.11453 163.3
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.