CID 16728769

Chembl245071

Structural Information

Molecular Formula
C19H22INOS
SMILES
C1C2CC3CC1CC(C2)(C3)C4N(C(=O)CS4)C5=CC=C(C=C5)I
InChI
InChI=1S/C19H22INOS/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
GINOOWDOMZKHHC-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.0467 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.05398 154.4
[M+Na]+ 462.03592 150.8
[M-H]- 438.03942 147.2
[M+NH4]+ 457.08052 171.3
[M+K]+ 478.00986 151.9
[M+H-H2O]+ 422.04396 143.9
[M+HCOO]- 484.04490 152.0
[M+CH3COO]- 498.06055 158.8
[M+Na-2H]- 460.02137 150.3
[M]+ 439.04615 152.6
[M]- 439.04725 152.6
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.