CID 6320910

3-amino-5-ethyl-6-methyl-4-phenylsulfanyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C14H16N2OS
SMILES
CCC1=C(NC(=O)C(=C1SC2=CC=CC=C2)N)C
InChI
InChI=1S/C14H16N2OS/c1-3-11-9(2)16-14(17)12(15)13(11)18-10-7-5-4-6-8-10/h4-8H,3,15H2,1-2H3,(H,16,17)
InChIKey
WMYPEBIKJNTWEJ-UHFFFAOYSA-N
Compound name
3-amino-5-ethyl-6-methyl-4-phenylsulfanyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.09833 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10561 157.6
[M+Na]+ 283.08755 167.2
[M-H]- 259.09105 162.1
[M+NH4]+ 278.13215 173.1
[M+K]+ 299.06149 160.5
[M+H-H2O]+ 243.09559 150.2
[M+HCOO]- 305.09653 174.8
[M+CH3COO]- 319.11218 196.1
[M+Na-2H]- 281.07300 158.9
[M]+ 260.09778 158.2
[M]- 260.09888 158.2
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.