CID 3290479

5-((4-bromoanilino)methylene)-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C10H7BrN2O2S
SMILES
C1=CC(=CC=C1N=CC2=C(NC(=O)S2)O)Br
InChI
InChI=1S/C10H7BrN2O2S/c11-6-1-3-7(4-2-6)12-5-8-9(14)13-10(15)16-8/h1-5,14H,(H,13,15)
InChIKey
RPPKQYGISOOLQQ-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.94116 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.94844 149.6
[M+Na]+ 320.93038 152.5
[M+NH4]+ 315.97498 153.8
[M+K]+ 336.90432 152.6
[M-H]- 296.93388 150.8
[M+Na-2H]- 318.91583 153.2
[M]+ 297.94061 149.4
[M]- 297.94171 149.4
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.