CID 473073

Chembl14876

Structural Information

Molecular Formula
C17H22N2O2S
SMILES
CCC(=O)C1=CC2=C(C=C1)N(C(=O)S2)CCN3CCCCC3
InChI
InChI=1S/C17H22N2O2S/c1-2-15(20)13-6-7-14-16(12-13)22-17(21)19(14)11-10-18-8-4-3-5-9-18/h6-7,12H,2-5,8-11H2,1H3
InChIKey
VMNMHNKWKQYHRC-UHFFFAOYSA-N
Compound name
3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

318.1402 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14748 174.1
[M+Na]+ 341.12942 182.1
[M-H]- 317.13292 178.9
[M+NH4]+ 336.17402 189.4
[M+K]+ 357.10336 176.9
[M+H-H2O]+ 301.13746 166.2
[M+HCOO]- 363.13840 187.5
[M+CH3COO]- 377.15405 184.6
[M+Na-2H]- 339.11487 173.0
[M]+ 318.13965 176.6
[M]- 318.14075 176.6
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.