CID 473071

6-pentanoyl-3-[2-(1-piperidyl)ethyl]-1,3-benzothiazol-2-one

Structural Information

Molecular Formula
C19H26N2O2S
SMILES
CCCCC(=O)C1=CC2=C(C=C1)N(C(=O)S2)CCN3CCCCC3
InChI
InChI=1S/C19H26N2O2S/c1-2-3-7-17(22)15-8-9-16-18(14-15)24-19(23)21(16)13-12-20-10-5-4-6-11-20/h8-9,14H,2-7,10-13H2,1H3
InChIKey
AZQIATNVTHPJTH-UHFFFAOYSA-N
Compound name
6-pentanoyl-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.1715 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17878 182.9
[M+Na]+ 369.16072 189.8
[M-H]- 345.16422 187.2
[M+NH4]+ 364.20532 197.0
[M+K]+ 385.13466 184.2
[M+H-H2O]+ 329.16876 174.5
[M+HCOO]- 391.16970 195.5
[M+CH3COO]- 405.18535 210.9
[M+Na-2H]- 367.14617 180.7
[M]+ 346.17095 185.9
[M]- 346.17205 185.9
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.