CID 5909952

617698-18-7

Structural Information

Molecular Formula
C21H17BrN2O2S2
SMILES
CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)/C1=O
InChI
InChI=1S/C21H17BrN2O2S2/c1-3-23-16-10-9-14(22)11-15(16)17(19(23)25)18-20(26)24(21(27)28-18)12(2)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3/b18-17-
InChIKey
PWJFXGNOHIFFTR-ZCXUNETKSA-N
Compound name
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.9915 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.99878 185.9
[M+Na]+ 494.98072 188.8
[M+NH4]+ 490.02532 189.9
[M+K]+ 510.95466 187.9
[M-H]- 470.98422 188.3
[M+Na-2H]- 492.96617 187.3
[M]+ 471.99095 186.5
[M]- 471.99205 186.5
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.