CID 3574452

388592-44-7

Structural Information

Molecular Formula
C17H16BrNO3S
SMILES
COC1=CC(=C(C=C1)N2C(SCC2=O)C3=CC(=CC=C3)Br)OC
InChI
InChI=1S/C17H16BrNO3S/c1-21-13-6-7-14(15(9-13)22-2)19-16(20)10-23-17(19)11-4-3-5-12(18)8-11/h3-9,17H,10H2,1-2H3
InChIKey
MVWNPZYLNLATCH-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

393.00342 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.01070 174.0
[M+Na]+ 415.99264 178.3
[M+NH4]+ 411.03724 178.6
[M+K]+ 431.96658 177.2
[M-H]- 391.99614 177.3
[M+Na-2H]- 413.97809 178.3
[M]+ 393.00287 174.8
[M]- 393.00397 174.8
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

patents stripe