CID 16728766

Chembl394546

Structural Information

Molecular Formula
C19H22FNOS
SMILES
C1C2CC3CC1CC(C2)(C3)C4N(C(=O)CS4)C5=CC=C(C=C5)F
InChI
InChI=1S/C19H22FNOS/c20-15-1-3-16(4-2-15)21-17(22)11-23-18(21)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,18H,5-11H2
InChIKey
FYSSNBVXTAUUIB-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.14062 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14790 170.2
[M+Na]+ 354.12984 173.2
[M-H]- 330.13334 168.5
[M+NH4]+ 349.17444 191.9
[M+K]+ 370.10378 168.0
[M+H-H2O]+ 314.13788 161.5
[M+HCOO]- 376.13882 170.0
[M+CH3COO]- 390.15447 177.2
[M+Na-2H]- 352.11529 174.2
[M]+ 331.14007 169.7
[M]- 331.14117 169.7
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.