CID 454387

143707-83-9

Structural Information

Molecular Formula
C17H18N2OS
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=CC3=CC=CC=C3S2)C
InChI
InChI=1S/C17H18N2OS/c1-3-12-9-15(17(20)19-11(12)2)18-10-14-8-13-6-4-5-7-16(13)21-14/h4-9,18H,3,10H2,1-2H3,(H,19,20)
InChIKey
OADBKKYLMLZYPI-UHFFFAOYSA-N
Compound name
3-(1-benzothiophen-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

298.11398 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12126 167.2
[M+Na]+ 321.10320 178.1
[M-H]- 297.10670 173.5
[M+NH4]+ 316.14780 184.4
[M+K]+ 337.07714 170.8
[M+H-H2O]+ 281.11124 160.2
[M+HCOO]- 343.11218 186.2
[M+CH3COO]- 357.12783 179.4
[M+Na-2H]- 319.08865 169.7
[M]+ 298.11343 171.2
[M]- 298.11453 171.2
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.