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 147.2
[M+Na]+ 320.93038 161.0
[M-H]- 296.93388 155.2
[M+NH4]+ 315.97498 166.9
[M+K]+ 336.90432 147.4
[M+H-H2O]+ 280.93842 146.9
[M+HCOO]- 342.93936 165.6
[M+CH3COO]- 356.95501 193.7
[M+Na-2H]- 318.91583 151.7
[M]+ 297.94061 167.2
[M]- 297.94171 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.