CID 3039606

4(5h)-thiazolone, 5-phenyl-2-(1-piperidinyl)-

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]+ 261.105606 159.1
[M+Na]+ 283.087548 166.0
[M-H]- 259.091054 165.9
[M+NH4]+ 278.132153 175.4
[M+K]+ 299.061488 161.5
[M+H-H2O]+ 243.095590 150.7
[M+HCOO]- 305.096531 173.1
[M+CH3COO]- 319.112181 170.2
[M+Na-2H]- 281.072996 158.4
[M]+ 260.09778142 155.8
[M]- 260.09887858 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.