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 158.2
[M+Na]+ 348.96169 170.6
[M-H]- 324.96519 166.2
[M+NH4]+ 344.00629 177.1
[M+K]+ 364.93563 156.9
[M+H-H2O]+ 308.96973 157.5
[M+HCOO]- 370.97067 174.1
[M+CH3COO]- 384.98632 202.0
[M+Na-2H]- 346.94714 158.7
[M]+ 325.97192 176.6
[M]- 325.97302 176.6
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.