CID 207398

4-thiazolidinone, 5-acetyl-3-phenyl-2-piperidino-, meso-ionic didehydro deriv.

Structural Information

Molecular Formula
C16H19N2O2S
SMILES
CC(=O)C1=C([N+](=C(S1)N2CCCCC2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H18N2O2S/c1-12(19)14-15(20)18(13-8-4-2-5-9-13)16(21-14)17-10-6-3-7-11-17/h2,4-5,8-9H,3,6-7,10-11H2,1H3/p+1
InChIKey
KZWVUBXDCCMGDY-UHFFFAOYSA-O
Compound name
1-(4-hydroxy-3-phenyl-2-piperidin-1-yl-1,3-thiazol-3-ium-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.11673 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12401 165.7
[M+Na]+ 326.10595 179.8
[M+NH4]+ 321.15055 174.7
[M+K]+ 342.07989 173.9
[M-H]- 302.10945 171.6
[M+Na-2H]- 324.09140 173.6
[M]+ 303.11618 170.1
[M]- 303.11728 170.1
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.