CID 454355

145901-85-5

Structural Information

Molecular Formula
C16H20N2OS
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=CC=CC=C2SC)C
InChI
InChI=1S/C16H20N2OS/c1-4-12-9-14(16(19)18-11(12)2)17-10-13-7-5-6-8-15(13)20-3/h5-9,17H,4,10H2,1-3H3,(H,18,19)
InChIKey
FDIPSNCWQUDLSR-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-[(2-methylsulfanylphenyl)methylamino]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.12964 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13692 165.7
[M+Na]+ 311.11886 174.4
[M-H]- 287.12236 170.3
[M+NH4]+ 306.16346 180.3
[M+K]+ 327.09280 167.6
[M+H-H2O]+ 271.12690 157.9
[M+HCOO]- 333.12784 182.8
[M+CH3COO]- 347.14349 202.6
[M+Na-2H]- 309.10431 167.0
[M]+ 288.12909 167.9
[M]- 288.13019 167.9
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.