CID 3039606

50871-34-6

Structural Information

Molecular Formula
C14H16N2OS
SMILES
C1CCN(CC1)C2=NC(=O)C(S2)C3=CC=CC=C3
InChI
InChI=1S/C14H16N2OS/c17-13-12(11-7-3-1-4-8-11)18-14(15-13)16-9-5-2-6-10-16/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey
NIBLTJOIXAMXHR-UHFFFAOYSA-N
Compound name
5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.09833 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10561 159.1
[M+Na]+ 283.08755 166.0
[M-H]- 259.09105 165.9
[M+NH4]+ 278.13215 175.4
[M+K]+ 299.06149 161.5
[M+H-H2O]+ 243.09559 150.7
[M+HCOO]- 305.09653 173.1
[M+CH3COO]- 319.11218 170.2
[M+Na-2H]- 281.07300 158.4
[M]+ 260.09778 155.8
[M]- 260.09888 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.