CID 2414265

1807940-12-0

Structural Information

Molecular Formula
C12H11BrN2O2S
SMILES
C1=CC(=CC(=C1)Br)/C=C\2/C(=O)N(C(=O)S2)CCN
InChI
InChI=1S/C12H11BrN2O2S/c13-9-3-1-2-8(6-9)7-10-11(16)15(5-4-14)12(17)18-10/h1-3,6-7H,4-5,14H2/b10-7-
InChIKey
CBNLXOLEBGDFKH-YFHOEESVSA-N
Compound name
(5Z)-3-(2-aminoethyl)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.97247 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.97975 159.5
[M+Na]+ 348.96169 160.9
[M+NH4]+ 344.00629 163.1
[M+K]+ 364.93563 160.9
[M-H]- 324.96519 160.4
[M+Na-2H]- 346.94714 160.9
[M]+ 325.97192 158.8
[M]- 325.97302 158.8
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.