CID 453438

135525-69-8

Structural Information

Molecular Formula
C17H18N2OS
SMILES
CCC1=C(NC(=O)C(=C1)CCC2=NC3=CC=CC=C3S2)C
InChI
InChI=1S/C17H18N2OS/c1-3-12-10-13(17(20)18-11(12)2)8-9-16-19-14-6-4-5-7-15(14)21-16/h4-7,10H,3,8-9H2,1-2H3,(H,18,20)
InChIKey
LZQXQNZBXMSGAI-UHFFFAOYSA-N
Compound name
3-[2-(1,3-benzothiazol-2-yl)ethyl]-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

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12126 168.3
[M+Na]+ 321.10320 180.2
[M-H]- 297.10670 173.3
[M+NH4]+ 316.14780 184.6
[M+K]+ 337.07714 172.9
[M+H-H2O]+ 281.11124 160.9
[M+HCOO]- 343.11218 185.1
[M+CH3COO]- 357.12783 180.4
[M+Na-2H]- 319.08865 169.8
[M]+ 298.11343 173.4
[M]- 298.11453 173.4
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.