CID 5830356

617697-75-3

Structural Information

Molecular Formula
C21H17BrN2O2S2
SMILES
CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCC4=CC=CC=C4)/C1=O
InChI
InChI=1S/C21H17BrN2O2S2/c1-2-23-16-9-8-14(22)12-15(16)17(19(23)25)18-20(26)24(21(27)28-18)11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3/b18-17-
InChIKey
NSCNGPBRNFNAOU-ZCXUNETKSA-N
Compound name
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-3-(2-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

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.99878 188.0
[M+Na]+ 494.98072 191.3
[M+NH4]+ 490.02532 192.1
[M+K]+ 510.95466 189.5
[M-H]- 470.98422 190.5
[M+Na-2H]- 492.96617 189.4
[M]+ 471.99095 188.8
[M]- 471.99205 188.8
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.