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]+ 298.948436 147.2
[M+Na]+ 320.930378 161.0
[M-H]- 296.933884 155.2
[M+NH4]+ 315.974983 166.9
[M+K]+ 336.904318 147.4
[M+H-H2O]+ 280.938420 146.9
[M+HCOO]- 342.939361 165.6
[M+CH3COO]- 356.955011 193.7
[M+Na-2H]- 318.915826 151.7
[M]+ 297.94061142 167.2
[M]- 297.94170858 167.2
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.