CID 16728768

Chembl390268

Structural Information

Molecular Formula
C19H22BrNOS
SMILES
C1C2CC3CC1CC(C2)(C3)C4N(C(=O)CS4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C19H22BrNOS/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
PVGWGFZDOQHDTL-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-3-(4-bromophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.06055 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.06783 175.1
[M+Na]+ 414.04977 181.0
[M-H]- 390.05327 177.5
[M+NH4]+ 409.09437 197.9
[M+K]+ 430.02371 170.6
[M+H-H2O]+ 374.05781 174.9
[M+HCOO]- 436.05875 175.2
[M+CH3COO]- 450.07440 184.2
[M+Na-2H]- 412.03522 180.9
[M]+ 391.06000 193.4
[M]- 391.06110 193.4
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.